2-methoxy-12-methyloctadec-17-en-5-ynoyl anhydride
type: Class
formula: C40H66O5
inchi: InChI=1S/C40H66O5/c1-7-9-11-23-29-35(3)31-25-19-15-13-17-21-27-33-37(43-5)39(41)45-40(42)38(44-6)34-28-22-18-14-16-20-26-32-36(4)30-24-12-10-8-2/h7-8,35-38H,1-2,9-16,19-20,23-34H2,3-6H3
inchikey: VOGBKCAANIAXCI-UHFFFAOYSA-N
monoisotopicmass: 6.26491026E2
subclass of: https://www.lipidmaps.org/rdf/category/10000
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_178363
abbrev: FA 40:7;O3

N-(3S-hydroxydecanoyl)-L-serine
type: Class
formula: C13H25NO5
inchi: InChI=1S/C13H25NO5/c1-2-3-4-5-6-7-10(16)8-12(17)14-11(9-15)13(18)19/h10-11,15-16H,2-9H2,1H3,(H,14,17)(H,18,19)/t10-,11-/m0/s1
inchikey: NDDJIMSGSZNACM-QWRGUYRKSA-N
monoisotopicmass: 2.75173274E2
label: Serratamic acid
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_137783

N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine
type: Class
formula: C38H74N2O5
inchi: InChI=1S/C38H74N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-37(42)45-34(33-36(41)40-35(38(43)44)30-28-32-39)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,40,41)(H,43,44)/t34?,35-/m0/s1
inchikey: GSCCUVDKVJUMTG-HTIIIDOHSA-N
monoisotopicmass: 6.38559774E2
subclass of: https://www.lipidmaps.org/rdf/category/10000
subclass of: https://www.lipidmaps.org/rdf/category/10110

N-(9Z,12Z,15Z-octadecatrienoyl)-glutamine
type: Class
formula: C23H38N2O4
inchi: InChI=1S/C23H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)25-20(23(28)29)18-19-21(24)26/h3-4,6-7,9-10,20H,2,5,8,11-19H2,1H3,(H2,24,26)(H,25,27)(H,28,29)/b4-3-,7-6-,10-9-/t20-/m0/s1
inchikey: FEFAAEYMDHYUFL-IWFQAGGASA-N
monoisotopicmass: 4.06283158E2
label: N-linolenoyl-glutamine
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10805
equivalent class: CHEBI_186604
abbrev: NAGln 18:3

N-(3-(15-methyl-hexadecanoyloxy)-13-methyl-tetradecanoyl)-L-serine
type: Class
formula: C37H71NO6
inchi: InChI=1S/C37H71NO6/c1-31(2)25-21-17-13-9-6-5-7-12-16-20-24-28-36(41)44-33(29-35(40)38-34(30-39)37(42)43)27-23-19-15-11-8-10-14-18-22-26-32(3)4/h31-34,39H,5-30H2,1-4H3,(H,38,40)(H,42,43)/t33?,34-/m0/s1
inchikey: WTGXHHUORCSXNB-DNKZHYAASA-N
monoisotopicmass: 6.2552814E2
subclass of: https://www.lipidmaps.org/rdf/category/10000
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105

2-((2S)-6-amino-2-(3-hydroxy-14-methylpentadecanamido)hexanoyloxy)ethyl 2-hydroxy-13-methyltetradecanoate
type: Class
formula: C39H76N2O7
inchi: InChI=1S/C39H76N2O7/c1-32(2)23-17-13-9-5-7-11-15-19-25-34(42)31-37(44)41-35(26-21-22-28-40)38(45)47-29-30-48-39(46)36(43)27-20-16-12-8-6-10-14-18-24-33(3)4/h32-36,42-43H,5-31,40H2,1-4H3,(H,41,44)/t34?,35-,36?/m0/s1
inchikey: RAKAWZJMWJKWRH-QRMJXLNNSA-N
monoisotopicmass: 6.84565254E2
label: Lysine-containing siolipin
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110

N-hydroxydecanamide
type: Class
formula: C10H21NO2
inchi: InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-8-9-10(12)11-13/h13H,2-9H2,1H3,(H,11,12)
inchikey: QZXOLBPUAUOQFB-UHFFFAOYSA-N
monoisotopicmass: 1.87157229E2
label: n-decanohydroxamic acid
subclass of: https://www.lipidmaps.org/rdf/category/10000
equivalent class: CHEBI_32350

(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid
type: Class
formula: C18H37O7P
inchi: InChI=1S/C18H37O7P/c1-2-3-4-5-7-10-13-16(19)17(25-26(22,23)24)14-11-8-6-9-12-15-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)(H2,22,23,24)/t16-,17-/m0/s1
inchikey: UELBXEKQONEDKM-IRXDYDNUSA-N
monoisotopicmass: 3.96227691E2
subclass of: https://www.lipidmaps.org/rdf/category/10000
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_49253
equivalent class: SLM_000390048

6-(6-aminohexanamido)hexanoic acid
type: Class
formula: C12H24N2O3
inchi: InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
inchikey: IWENLYKHSZCPRD-UHFFFAOYSA-N
monoisotopicmass: 2.44178693E2
label: N-(6-aminohexanoyl)-6-aminohexanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10000
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_49255

2-aminoethyl-5Z,8Z,11Z,14Z-eicosatetraenoate
type: Class
formula: C22H37NO2
inchi: InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
inchikey: DLHLOYYQQGSXCC-DOFZRALJSA-N
monoisotopicmass: 3.47282429E2
label: Virodhamine
subclass of: https://www.lipidmaps.org/rdf/category/10000
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_183424

Dideoxymycobactin
type: Class
formula: C47H75N5O8
inchikey: JLBSVDZUWJLOCF-ZLKQSCCRSA-N
monoisotopicmass: 8.37561565E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105

Docosane-1,14-disulfate
type: Class
formula: C22H46O8S2
inchi: InChI=1S/C22H46O8S2/c1-2-3-4-5-13-16-19-22(30-32(26,27)28)20-17-14-11-9-7-6-8-10-12-15-18-21-29-31(23,24)25/h22H,2-21H2,1H3,(H,23,24,25)(H,26,27,28)
inchikey: UUCGHXFCAGWVSX-UHFFFAOYSA-N
monoisotopicmass: 5.02263412E2
label: Docosanediol-1,14-disulfate
subclass of: https://www.lipidmaps.org/rdf/category/10000
equivalent class: CHEBI_169243

13-chloro-docosane-1,14-disulfate
type: Class
formula: C22H45ClO8S2
inchi: InChI=1S/C22H45ClO8S2/c1-2-3-4-5-13-16-19-22(31-33(27,28)29)21(23)18-15-12-10-8-6-7-9-11-14-17-20-30-32(24,25)26/h21-22H,2-20H2,1H3,(H,24,25,26)(H,27,28,29)
inchikey: IENDHJUGFNARNE-UHFFFAOYSA-N
monoisotopicmass: 5.3622444E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10109

11,15-dichloro-docosane-1,14-disulfate
type: Class
formula: C22H44Cl2O8S2
inchikey: QQYZBYZNIRPGDE-UHFFFAOYSA-N
monoisotopicmass: 5.70185468E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10109

2,2,11,13,15,16-hexachloro-docosane-1,14-disulfate
type: Class
formula: C22H40Cl6O8S2
inchikey: PWBCODFOAWWVMF-UHFFFAOYSA-N
monoisotopicmass: 7.0602958E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10109

2,2,11,13,15-pentachloro-docosane-1,14-disulfate
type: Class
formula: C22H41Cl5O8S2
inchikey: XCQVIBNYJYFVME-UHFFFAOYSA-N
monoisotopicmass: 6.72068552E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10109

2,2,11,13,16-pentachloro-docosane-1,14-disulfate
type: Class
formula: C22H41Cl5O8S2
inchikey: OWZXJAFOLNMCCO-UHFFFAOYSA-N
monoisotopicmass: 6.72068552E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10109

2,2-dichloro-docosane-1,14-disulfate
type: Class
formula: C22H44Cl2O8S2
inchikey: WQILCMSIAMQYDH-UHFFFAOYSA-N
monoisotopicmass: 5.70185468E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10109

14-chlorotetracosane-1,15-disulfate
type: Class
formula: C24H49ClO8S2
inchi: InChI=1S/C24H49ClO8S2/c1-2-3-4-5-11-15-18-21-24(33-35(29,30)31)23(25)20-17-14-12-9-7-6-8-10-13-16-19-22-32-34(26,27)28/h23-24H,2-22H2,1H3,(H,26,27,28)(H,29,30,31)
inchikey: XKTFVUFBGYNAMG-UHFFFAOYSA-N
monoisotopicmass: 5.6425574E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10109

2,12,14,16,17-pentachlorotetracosane-1,15-disulfate
type: Class
formula: C24H45Cl5O8S2
inchikey: WAZWQAUPFQVNCE-UHFFFAOYSA-N
monoisotopicmass: 7.00099852E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10109

2,2,12,14,16,17-hexachlorotetracosane-1,15-disulfate
type: Class
formula: C24H44Cl6O8S2
inchikey: KDEBQRHOJZQXGT-UHFFFAOYSA-N
monoisotopicmass: 7.3406088E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10109

11,12,13,15,16-pentachloro-14-hydroxytetracos-1Z-enyl sulfate
type: Class
formula: C24H43Cl5O5S
inchi: InChI=1S/C24H43Cl5O5S/c1-2-3-4-5-10-14-17-20(26)22(28)24(30)23(29)21(27)19(25)16-13-11-8-6-7-9-12-15-18-34-35(31,32)33/h15,18-24,30H,2-14,16-17H2,1H3,(H,31,32,33)/b18-15-
inchikey: FPZCWGAMOFPTED-SDXDJHTJSA-N
monoisotopicmass: 6.18127386E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109

15-dimethylarsinoyl pentadecanoic acid
type: Class
formula: C17H35O3As
inchi: InChI=1S/C17H35AsO3/c1-18(2,21)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(19)20/h3-16H2,1-2H3,(H,19,20)
inchikey: RJOXDLOOIZACDO-UHFFFAOYSA-N
monoisotopicmass: 3.62180213E2
subclass of: https://www.lipidmaps.org/rdf/category/100
equivalent class: CHEBI_185754

21-dimethylarsinoyl (7Z, 10Z,13Z,16Z,19Z)-heneicosapentaenoic acid
type: Class
formula: C23H37O3As
inchi: InChI=1S/C23H37AsO3/c1-24(2,27)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23(25)26/h3,5-6,8-9,11-12,14,18,20H,4,7,10,13,15-17,19,21-22H2,1-2H3,(H,25,26)/b5-3-,8-6-,11-9-,14-12-,20-18-
inchikey: ULFAOEFFCWUSHM-BSFPNHDCSA-N
monoisotopicmass: 4.36195863E2
label: 21-dimethylarsinoyl-(7Z, 10Z,13Z,16Z,19Z)-heneicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_184957

22-dimethylarsinoyl-(5Z,7Z, 11Z,14Z,17Z,20Z)-docosahexaenoic acid
type: Class
formula: C24H37O3As
inchi: InChI=1S/C24H37AsO3/c1-25(2,28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24(26)27/h3-4,7-10,13-16,19,21H,5-6,11-12,17-18,20,22-23H2,1-2H3,(H,26,27)/b4-3-,9-7-,10-8-,15-13-,16-14-,21-19-
inchikey: GJSMHUXGVHPNKH-GANQPYOASA-N
monoisotopicmass: 4.48195863E2
label: 22-dimethylarsinoyl-(5Z,8Z, 11Z,14Z,17Z,20Z)-docosahexaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186277

9-dimethylarsinoyl-nonanoic acid
type: Class
formula: C11H23O3As
inchi: InChI=1S/C11H23AsO3/c1-12(2,15)10-8-6-4-3-5-7-9-11(13)14/h3-10H2,1-2H3,(H,13,14)
inchikey: KCRYGWREJDRGBG-UHFFFAOYSA-N
monoisotopicmass: 2.78086313E2
subclass of: https://www.lipidmaps.org/rdf/category/10000
equivalent class: CHEBI_185761

17-dimethylarsinoyl-9Z-heptadecenoic acid
type: Class
formula: C19H37O3As
inchi: InChI=1S/C19H37AsO3/c1-20(2,23)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(21)22/h3-4H,5-18H2,1-2H3,(H,21,22)/b4-3-
inchikey: QLUKWCNWKNZIQN-ARJAWSKDSA-N
monoisotopicmass: 3.88195863E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185174

16-dimethylarsinoyl-9Z-hexadecenoic acid
type: Class
formula: C18H35O3As
inchi: InChI=1S/C18H35AsO3/c1-19(2,22)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5H,4,6-17H2,1-2H3,(H,20,21)/b5-3-
inchikey: FZOQEVBDCNSQIJ-HYXAFXHYSA-N
monoisotopicmass: 3.74180213E2
subclass of: https://www.lipidmaps.org/rdf/category/10000
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187398

1-dimethylarsinoyl-tricosane
type: Class
formula: C25H53OAs
inchikey: ZCBSGSPABPUWKY-UHFFFAOYSA-N
monoisotopicmass: 4.44331234E2
subclass of: https://www.lipidmaps.org/rdf/category/10000
equivalent class: CHEBI_185625

13-dimethylarsinoyl-tridecanoic acid
type: Class
formula: C15H31O3As
inchi: InChI=1S/C15H31AsO3/c1-16(2,19)14-12-10-8-6-4-3-5-7-9-11-13-15(17)18/h3-14H2,1-2H3,(H,17,18)
inchikey: ATYBQUGNOSSSRP-UHFFFAOYSA-N
monoisotopicmass: 3.34148913E2
subclass of: https://www.lipidmaps.org/rdf/category/100
equivalent class: CHEBI_185707

2-dimethylarsinoyl-acetic acid
type: Class
formula: C4H9O3As
inchi: InChI=1S/C4H9AsO3/c1-5(2,8)3-4(6)7/h3H2,1-2H3,(H,6,7)
inchikey: WDBNOSZAJMWOEF-UHFFFAOYSA-N
monoisotopicmass: 1.79976763E2
label: 2-dimethylarsinoyl-ethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/100

8-dimethylarsinoyl-octanoic acid
type: Class
formula: C10H21O3As
inchi: InChI=1S/C10H21AsO3/c1-11(2,14)9-7-5-3-4-6-8-10(12)13/h3-9H2,1-2H3,(H,12,13)
inchikey: OGWMGQJBCMJLQC-UHFFFAOYSA-N
monoisotopicmass: 2.64070663E2
subclass of: https://www.lipidmaps.org/rdf/category/100
equivalent class: CHEBI_184808

11-dimethylarsinoyl-undecanoic acid
type: Class
formula: C13H27O3As
inchi: InChI=1S/C13H27AsO3/c1-14(2,17)12-10-8-6-4-3-5-7-9-11-13(15)16/h3-12H2,1-2H3,(H,15,16)
inchikey: XESWZZJIQNYKSL-UHFFFAOYSA-N
monoisotopicmass: 3.06117613E2
subclass of: https://www.lipidmaps.org/rdf/category/10000

3-dimethylarsinoyl-propionic acid
type: Class
formula: C5H11O3As
inchi: InChI=1S/C5H11AsO3/c1-6(2,9)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
inchikey: WRRCIDKLWQEOMZ-UHFFFAOYSA-N
monoisotopicmass: 1.93992413E2
subclass of: https://www.lipidmaps.org/rdf/category/10000

19-dimethylarsinoyl-nonadecanoic acid
type: Class
formula: C21H43O3As
inchi: InChI=1S/C21H43AsO3/c1-22(2,25)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(23)24/h3-20H2,1-2H3,(H,23,24)
inchikey: DQMMGFZOXXMBBB-UHFFFAOYSA-N
monoisotopicmass: 4.18242813E2
subclass of: https://www.lipidmaps.org/rdf/category/100
equivalent class: CHEBI_185432

3-thio-3-dimethylarsenoyl propanoic acid
type: Class
formula: C5H11O2SAs
inchi: InChI=1S/C5H11AsO2S/c1-6(2,9)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
inchikey: ICLSKJLFAMHPGA-UHFFFAOYSA-N
monoisotopicmass: 2.09969569E2
label: 3-thiodimethylarsenopropanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10113

4-thiodimethylarsenobutanoic acid
type: Class
formula: C6H13O2SAs
inchi: InChI=1S/C6H13AsO2S/c1-7(2,10)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
inchikey: LPOQZCAOBCMROQ-UHFFFAOYSA-N
monoisotopicmass: 2.23985219E2
label: 4-thiodimethylarsenoyl butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10113
equivalent class: CHEBI_186149

4-dimethylarsenobutanoic acid
type: Class
formula: C6H13O3As
inchi: InChI=1S/C6H13AsO3/c1-7(2,10)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
inchikey: YGQBCYUQVJWELM-UHFFFAOYSA-N
monoisotopicmass: 2.08008063E2
label: 4-dimethylarsenoyl butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/100

17-trimethylarsenylheptadecan-1-ol
type: Class
formula: C20H44OAs
inchi: InChI=1S/C20H44AsO/c1-21(2,3)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22/h22H,4-20H2,1-3H3/q+1
inchikey: ITQUSLJANGKIFT-UHFFFAOYSA-N
monoisotopicmass: 3.75260808E2
subclass of: https://www.lipidmaps.org/rdf/category/100

Liamocin B1
type: Class
formula: C46H86O18
inchi: InChI=1S/C46H86O18/c1-5-9-13-17-31(48)21-32(49)26-42(56)62-37(19-15-11-7-3)23-34(51)28-44(58)64-38(20-16-12-8-4)24-35(52)27-43(57)63-36(18-14-10-6-2)22-33(50)25-41(55)61-30-40(54)46(60)45(59)39(53)29-47/h31-40,45-54,59-60H,5-30H2,1-4H3/t31?,32?,33?,34?,35?,36?,37?,38?,39-,40-,45-,46-/m1/s1
inchikey: AEJBPEGONUZZFK-KXXWGKSRSA-N
monoisotopicmass: 9.26581422E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10709

Liamocin B2
type: Class
formula: C48H88O19
inchi: InChI=1S/C48H88O19/c1-6-10-14-18-33(51)22-34(52)25-44(58)65-37(19-15-11-7-2)23-35(53)26-45(59)66-38(20-16-12-8-3)24-36(54)27-46(60)67-39(21-17-13-9-4)28-40(64-32(5)50)29-43(57)63-31-42(56)48(62)47(61)41(55)30-49/h33-42,47-49,51-56,61-62H,6-31H2,1-5H3/t33?,34?,35?,36?,37?,38?,39?,40?,41-,42-,47-,48-/m1/s1
inchikey: SOGLLJQMDVDVFY-DABPNMDRSA-N
monoisotopicmass: 9.68591987E2
subclass of: https://www.lipidmaps.org/rdf/category/100

Liamocin A2
type: Class
formula: C38H70O16
inchi: InChI=1S/C38H70O16/c1-5-8-11-14-26(41)17-27(42)19-35(47)53-29(15-12-9-6-2)18-28(43)20-36(48)54-30(16-13-10-7-3)21-31(52-25(4)40)22-34(46)51-24-33(45)38(50)37(49)32(44)23-39/h26-33,37-39,41-45,49-50H,5-24H2,1-4H3/t26?,27?,28?,29?,30?,31?,32-,33-,37-,38-/m1/s1
inchikey: SYHANUPLAHQNHK-WPJBVWTLSA-N
monoisotopicmass: 7.82466391E2
subclass of: https://www.lipidmaps.org/rdf/category/100

Liamocin A1
type: Class
formula: C36H68O15
inchi: InChI=1S/C36H68O15/c1-4-7-10-13-24(38)16-25(39)20-33(45)50-29(15-12-9-6-3)18-27(41)21-34(46)51-28(14-11-8-5-2)17-26(40)19-32(44)49-23-31(43)36(48)35(47)30(42)22-37/h24-31,35-43,47-48H,4-23H2,1-3H3/t24?,25?,26?,27?,28?,29?,30-,31-,35-,36-/m1/s1
inchikey: VVUAHGLHHLVKDR-MGXCTWJYSA-N
monoisotopicmass: 7.40455826E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10709

Exophilin A1
type: Class
formula: C30H56O10
inchi: InChI=1S/C30H56O10/c1-4-7-10-13-22(31)16-23(32)20-29(37)40-27(15-12-9-6-3)18-25(34)21-30(38)39-26(14-11-8-5-2)17-24(33)19-28(35)36/h22-27,31-34H,4-21H2,1-3H3,(H,35,36)
inchikey: RZQNQMRSGMXXMH-UHFFFAOYSA-N
monoisotopicmass: 5.76387351E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10709
equivalent class: CHEBI_181856

Exophilin A2
type: Class
formula: C32H58O11
inchi: InChI=1S/C32H58O11/c1-5-8-11-14-24(34)17-25(35)19-31(39)42-27(15-12-9-6-2)18-26(36)20-32(40)43-28(16-13-10-7-3)21-29(22-30(37)38)41-23(4)33/h24-29,34-36H,5-22H2,1-4H3,(H,37,38)
inchikey: HCNZRMMEIFPGAJ-UHFFFAOYSA-N
monoisotopicmass: 6.18397916E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10709

Exophilin B2
type: Class
formula: C42H76O14
inchi: InChI=1S/C42H76O14/c1-6-10-14-18-31(44)22-32(45)25-40(50)54-35(19-15-11-7-2)23-33(46)26-41(51)55-36(20-16-12-8-3)24-34(47)27-42(52)56-37(21-17-13-9-4)28-38(29-39(48)49)53-30(5)43/h31-38,44-47H,6-29H2,1-5H3,(H,48,49)
inchikey: ZVVTTYZUVBRYKZ-UHFFFAOYSA-N
monoisotopicmass: 8.04523511E2
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10709

(+)-Danicalipin A
type: Class
formula: C22H40O8S2Cl6
inchikey: PWBCODFOAWWVMF-QSUVIHHLSA-N
monoisotopicmass: 7.0602958E2
label: 2,2,11S,13R,15S,16R-hexaachlorodocosane-1,14S-disulfate
subclass of: https://www.lipidmaps.org/rdf/category/100
subclass of: https://www.lipidmaps.org/rdf/category/10109

Octadeca-9Z,12Z-dienoyl-octadec-9Z-enoate
type: Class
formula: C36H64O3
inchi: InChI=1S/C36H64O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20H,3-10,12,14-16,21-34H2,1-2H3/b13-11-,19-17-,20-18-
inchikey: KKGQWCSLTDZZSH-LTEAFHAISA-N
monoisotopicmass: 5.44485546E2
label: Phalarisin 1
subclass of: https://www.lipidmaps.org/rdf/category/100

8-(5-Hexylthiophen-2-yl)octanoic acid
type: Class
formula: C18H30O2S
inchi: InChI=1S/C18H30O2S/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
inchikey: IPHMYTYOJLRBNJ-UHFFFAOYSA-N
monoisotopicmass: 3.10196651E2
subclass of: https://www.lipidmaps.org/rdf/category/100

8-(5-Hexyl-tetrahydrothiophene-2-yl) octanoic acid
type: Class
formula: C18H34O2S
inchi: InChI=1S/C18H34O2S/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
inchikey: OTXDYBDPTPCMFR-UHFFFAOYSA-N
monoisotopicmass: 3.14227951E2
subclass of: https://www.lipidmaps.org/rdf/category/100

8-(6-Pentylthian-2-yl)octanoic acid
type: Class
formula: C18H34O2S
inchi: InChI=1S/C18H34O2S/c1-2-3-7-11-16-13-10-14-17(21-16)12-8-5-4-6-9-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
inchikey: ZAVQMLQVNYVIRD-UHFFFAOYSA-N
monoisotopicmass: 3.14227951E2
subclass of: https://www.lipidmaps.org/rdf/category/100

fatty acid
type: Class
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_35366

Palmitic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
inchikey: IPCSVZSSVZVIGE-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
label: hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_15756
equivalent class: SLM_000000510
abbrev: FA 16:0

Acetic acid
type: Class
formula: C2H4O2
inchi: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
inchikey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
monoisotopicmass: 6.002113E1
label: ethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_15366
equivalent class: SLM_000000449
abbrev: FA 2:0

Propionic acid
type: Class
formula: C3H6O2
inchi: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
inchikey: XBDQKXXYIPTUBI-UHFFFAOYSA-N
monoisotopicmass: 7.403678E1
label: propanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_30768
equivalent class: SLM_000001194
abbrev: FA 3:0

Butanoic acid
type: Class
formula: C4H8O2
inchi: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
inchikey: FERIUCNNQQJTOY-UHFFFAOYSA-N
monoisotopicmass: 8.805243E1
label: Butyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_30772
equivalent class: SLM_000001195
abbrev: FA 4:0

Pentanoic acid
type: Class
formula: C5H10O2
inchi: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
inchikey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
monoisotopicmass: 1.0206808E2
label: Valeric acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_17418
equivalent class: SLM_000389552
abbrev: FA 5:0

Caproic acid
type: Class
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
inchikey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
monoisotopicmass: 1.1608373E2
label: Hexanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_30776
equivalent class: SLM_000001196
abbrev: FA 6:0

Heptylic acid
type: Class
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
inchikey: MNWFXJYAOYHMED-UHFFFAOYSA-N
monoisotopicmass: 1.3009938E2
label: heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_45571
equivalent class: SLM_000389947
abbrev: FA 7:0

Caprylic acid
type: Class
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
inchikey: WWZKQHOCKIZLMA-UHFFFAOYSA-N
monoisotopicmass: 1.4411503E2
label: octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_28837
equivalent class: SLM_000000853
abbrev: FA 8:0

Pelargonic acid
type: Class
formula: C9H18O2
inchi: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
inchikey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
monoisotopicmass: 1.5813068E2
label: nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_29019
abbrev: FA 9:0

Capric acid
type: Class
formula: C10H20O2
inchi: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
inchikey: GHVNFZFCNZKVNT-UHFFFAOYSA-N
monoisotopicmass: 1.7214633E2
label: Decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_30813
equivalent class: SLM_000000855
abbrev: FA 10:0

Undecylic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
inchikey: ZDPHROOEEOARMN-UHFFFAOYSA-N
monoisotopicmass: 1.8616198E2
label: undecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_32368
equivalent class: SLM_000389946
abbrev: FA 11:0

Lauric acid
type: Class
formula: C12H24O2
inchi: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
inchikey: POULHZVOKOAJMA-UHFFFAOYSA-N
monoisotopicmass: 2.0017763E2
label: dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_30805
equivalent class: SLM_000000719
abbrev: FA 12:0

Tridecylic acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
inchikey: SZHOJFHSIKHZHA-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
label: tridecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_45919
equivalent class: SLM_000001198
abbrev: FA 13:0

Myristic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
inchikey: TUNFSRHWOTWDNC-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
label: tetradecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_28875
equivalent class: SLM_000000825
abbrev: FA 14:0

Pentadecylic acid
type: Class
formula: C15H30O2
inchi: InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
inchikey: WQEPLUUGTLDZJY-UHFFFAOYSA-N
monoisotopicmass: 2.42224581E2
label: pentadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_42504
equivalent class: SLM_000001199
abbrev: FA 15:0

Margaric acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
inchikey: KEMQGTRYUADPNZ-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
label: heptadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_32365
equivalent class: SLM_000001095
abbrev: FA 17:0

Stearic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
inchikey: QIQXTHQIDYTFRH-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
label: octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_28842
abbrev: FA 18:0

Nonadecylic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
inchikey: ISYWECDDZWTKFF-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
label: nonadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_39246
equivalent class: SLM_000001205
abbrev: FA 19:0

Arachidic acid
type: Class
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
inchikey: VKOBVWXKNCXXDE-UHFFFAOYSA-N
monoisotopicmass: 3.12302831E2
label: Eicosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_28822
equivalent class: SLM_000000829
abbrev: FA 20:0

Heneicosanoic acid
type: Class
formula: C21H42O2
inchikey: CKDDRHZIAZRDBW-UHFFFAOYSA-N
monoisotopicmass: 3.26318481E2
label: Heneicosylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_39248
equivalent class: SLM_000001207
abbrev: FA 21:0

Behenic acid
type: Class
formula: C22H44O2
inchikey: UKMSUNONTOPOIO-UHFFFAOYSA-N
monoisotopicmass: 3.40334131E2
label: docosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
subclass of: https://www.lipidmaps.org/rdf/category/104
equivalent class: CHEBI_28941
equivalent class: SLM_000000827
abbrev: FA 22:0

Tricosanoic acid
type: Class
formula: C23H46O2
inchikey: XEZVDURJDFGERA-UHFFFAOYSA-N
monoisotopicmass: 3.54349781E2
label: Tricosylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_42394
equivalent class: SLM_000001128
abbrev: FA 23:0

Lignoceric acid
type: Class
formula: C24H48O2
inchikey: QZZGJDVWLFXDLK-UHFFFAOYSA-N
monoisotopicmass: 3.68365431E2
label: Tetracosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_28866
equivalent class: SLM_000000414
abbrev: FA 24:0

Hyenic acid
type: Class
formula: C25H50O2
inchikey: MWMPEAHGUXCSMY-UHFFFAOYSA-N
monoisotopicmass: 3.82381081E2
label: Pentacosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_39420
abbrev: FA 25:0

Cerotic acid
type: Class
formula: C26H52O2
inchikey: XMHIUKTWLZUKEX-UHFFFAOYSA-N
monoisotopicmass: 3.96396731E2
label: hexacosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_31009
equivalent class: SLM_000000539
abbrev: FA 26:0

Carboceric acid
type: Class
formula: C27H54O2
inchikey: VXZBFBRLRNDJCS-UHFFFAOYSA-N
monoisotopicmass: 4.10412381E2
label: heptacosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_78710
equivalent class: SLM_000000980
abbrev: FA 27:0

Montanic acid
type: Class
formula: C28H56O2
inchikey: UTOPWMOLSKOLTQ-UHFFFAOYSA-N
monoisotopicmass: 4.24428031E2
label: octacosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_31001
equivalent class: SLM_000000540
abbrev: FA 28:0

nonacosanoic acid
type: Class
formula: C29H58O2
inchikey: IHEJEKZAKSNRLY-UHFFFAOYSA-N
monoisotopicmass: 4.38443681E2
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_84867
abbrev: FA 29:0

Melissic acid
type: Class
formula: C30H60O2
inchikey: VHOCUJPBKOZGJD-UHFFFAOYSA-N
monoisotopicmass: 4.52459331E2
label: Triacontanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_31003
equivalent class: SLM_000000543
abbrev: FA 30:0

hentriacontanoic acid
type: Class
formula: C31H62O2
inchikey: ONLMUMPTRGEPCH-UHFFFAOYSA-N
monoisotopicmass: 4.66474981E2
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_165441
abbrev: FA 31:0

Lacceroic acid
type: Class
formula: C32H64O2
inchikey: ICAIHSUWWZJGHD-UHFFFAOYSA-N
monoisotopicmass: 4.80490631E2
label: dotriacontanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_76215
equivalent class: SLM_000000544
abbrev: FA 32:0

Psyllic acid
type: Class
formula: C33H66O2
inchikey: HQRWEDFDJHDPJC-UHFFFAOYSA-N
monoisotopicmass: 4.94506281E2
label: tritriacontanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_165446
abbrev: FA 33:0

Gheddic acid
type: Class
formula: C34H68O2
inchikey: UTGPYHWDXYRYGT-UHFFFAOYSA-N
monoisotopicmass: 5.08521931E2
label: Tetratriacontanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_76216
equivalent class: SLM_000000545
abbrev: FA 34:0

Ceroplastic acid
type: Class
formula: C35H70O2
inchikey: HVUCKZJUWZBJDP-UHFFFAOYSA-N
monoisotopicmass: 5.22537581E2
label: pentatriacontanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_165440
abbrev: FA 35:0

Hexatriacontylic acid
type: Class
formula: C36H72O2
inchikey: LRKATBAZQAWAGV-UHFFFAOYSA-N
monoisotopicmass: 5.36553231E2
label: hexatriacontanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_165444
abbrev: FA 36:0

heptatriacontanoic acid
type: Class
formula: C37H74O2
inchikey: DEQQJCLFURALOA-UHFFFAOYSA-N
monoisotopicmass: 5.50568881E2
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_165442
abbrev: FA 37:0

octatriacontanoic acid
type: Class
formula: C38H76O2
inchikey: AJQRZOBUACOSBG-UHFFFAOYSA-N
monoisotopicmass: 5.64584531E2
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_165445
abbrev: FA 38:0

hexatetracontanoic acid
type: Class
formula: C46H92O2
inchikey: PLPABYLKGGTKBQ-UHFFFAOYSA-N
monoisotopicmass: 6.76709732E2
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_165443
abbrev: FA 46:0

Dodecanoic acid(d3)
type: Class
formula: C12H21D3O2
inchi: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i1D3
inchikey: POULHZVOKOAJMA-FIBGUPNXSA-N
monoisotopicmass: 2.03196461E2
label: Lauric acid(d3)
subclass of: https://www.lipidmaps.org/rdf/category/10101

Myristic acid(d3)
type: Class
formula: C14H25D3O2
inchi: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/i1D3
inchikey: TUNFSRHWOTWDNC-FIBGUPNXSA-N
monoisotopicmass: 2.31227761E2
label: Tetradecanoic acid(d3)
subclass of: https://www.lipidmaps.org/rdf/category/10101

Pentadecanoic acid(d3)
type: Class
formula: C15H27D3O2
inchi: InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)/i1D3
inchikey: WQEPLUUGTLDZJY-FIBGUPNXSA-N
monoisotopicmass: 2.45243411E2
label: Pentadecylic acid(d3)
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_169232

Hexadecanoic acid(d3)
type: Class
formula: C16H29D3O2
inchi: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3
inchikey: IPCSVZSSVZVIGE-FIBGUPNXSA-N
monoisotopicmass: 2.59259061E2
label: Palmitic acid(d3)
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_168544

Octadecanoic acid(d3)
type: Class
formula: C18H33D3O2
inchi: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i1D3
inchikey: QIQXTHQIDYTFRH-FIBGUPNXSA-N
monoisotopicmass: 2.87290361E2
label: Stearic acid(d3)
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_168383

Heptadecanoic acid(d3)
type: Class
formula: C17H31D3O2
inchi: InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/i1D3
inchikey: KEMQGTRYUADPNZ-FIBGUPNXSA-N
monoisotopicmass: 2.73274711E2
label: Margaric acid(d3)
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_168047

Arachidic acid(d3)
type: Class
formula: C20H37D3O2
inchi: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)/i1D3
inchikey: VKOBVWXKNCXXDE-FIBGUPNXSA-N
monoisotopicmass: 3.15321661E2
label: Eicosanoic acid(d3)
subclass of: https://www.lipidmaps.org/rdf/category/10101

Behenic acid(d3)
type: Class
formula: C22H41D3O2
inchikey: UKMSUNONTOPOIO-FIBGUPNXSA-N
monoisotopicmass: 3.43352961E2
label: Docosanoic acid(d3)
subclass of: https://www.lipidmaps.org/rdf/category/10101

Lignoceric acid(d3)
type: Class
formula: C24H45D3O2
inchikey: QZZGJDVWLFXDLK-FIBGUPNXSA-N
monoisotopicmass: 3.71384261E2
label: Tetracosanoic acid(d3)
subclass of: https://www.lipidmaps.org/rdf/category/10101

Cerotic acid(d3)
type: Class
formula: C26H49D3O2
inchikey: XMHIUKTWLZUKEX-FIBGUPNXSA-N
monoisotopicmass: 3.99415561E2
label: Hexacosanoic acid(d3)
subclass of: https://www.lipidmaps.org/rdf/category/10101
equivalent class: CHEBI_178692

3R,5S-Dimethyldodecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-4-5-6-7-8-9-12(2)10-13(3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)/t12-,13+/m0/s1
inchikey: BJCDOTOCKDZJAQ-QWHCGFSZSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10101
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179785
abbrev: FA 14:0

17-methyl-6Z-octadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h7,9,18H,3-6,8,10-17H2,1-2H3,(H,20,21)/b9-7-
inchikey: QWCJNFBLSZGETP-CLFYSBASSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_34176
abbrev: FA 19:1

6-methyl-octanoic acid
type: Class
formula: C9H18O2
inchi: InChI=1S/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
inchikey: GPOPHQSTNHUENT-UHFFFAOYSA-N
monoisotopicmass: 1.5813068E2
label: Anteisononanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165369
abbrev: FA 9:0

7-methyl-octanoic acid
type: Class
formula: C9H18O2
inchi: InChI=1S/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
inchikey: XZOYHFBNQHPJRQ-UHFFFAOYSA-N
monoisotopicmass: 1.5813068E2
label: Isononanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_37108
abbrev: FA 9:0

10-methyl-undecanoic acid
type: Class
formula: C12H24O2
inchi: InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
inchikey: QJRRBVNPIKYRQJ-UHFFFAOYSA-N
monoisotopicmass: 2.0017763E2
label: Isolauric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84889
abbrev: FA 12:0

10-methyl-dodecanoic acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-3-12(2)10-8-6-4-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
inchikey: YETWOCQNUTWSQA-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
label: Anteisotridecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84872
abbrev: FA 13:0

11-methyl-dodecanoic acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
inchikey: SIOLDWZBFABPJU-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
label: Isotridecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_77359
equivalent class: SLM_000001197
abbrev: FA 13:0

12-methyl-tridecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
inchikey: YYVJAABUJYRQJO-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
label: Isomyristic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_43722
abbrev: FA 14:0

12-methyl-tetradecanoic acid
type: Class
formula: C15H30O2
inchi: InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
inchikey: XKLJLHAPJBUBNL-UHFFFAOYSA-N
monoisotopicmass: 2.42224581E2
label: Sarcinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_39251
abbrev: FA 15:0

13-methyl-tetradecanoic acid
type: Class
formula: C15H30O2
inchi: InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
inchikey: ZOCYQVNGROEVLU-UHFFFAOYSA-N
monoisotopicmass: 2.42224581E2
label: Isopentadecylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_39250
equivalent class: SLM_000000047
abbrev: FA 15:0

14-methyl-pentadecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
inchikey: ZONJATNKKGGVSU-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
label: Isopalmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84890
abbrev: FA 16:0

14-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: FXUKWLSZZHVEJD-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
label: Anteisoheptadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84874
abbrev: FA 17:0

15-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: IIUXHTGBZYEGHI-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
label: Isoheptadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_70850
equivalent class: SLM_000000048
abbrev: FA 17:0

10-methyl-heptadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-3-4-5-8-11-14-17(2)15-12-9-6-7-10-13-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
inchikey: OQCDKBAXFALNLD-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165353
abbrev: FA 18:0

16-methyl-heptadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
inchikey: XDOFQFKRPWOURC-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
label: Isostearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84896
abbrev: FA 18:0

10R-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)/t18-/m1/s1
inchikey: BEOUGZFCUMNGOU-GOSISDBHSA-N
monoisotopicmass: 2.98287181E2
label: Tuberculostearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 19:0

16-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: PCGKIWPTIJPQHI-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
label: Anteisononadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84875
abbrev: FA 19:0

18-methyl-nonadecanoic acid
type: Class
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
inchikey: UCDAVJCKGYOYNI-UHFFFAOYSA-N
monoisotopicmass: 3.12302831E2
label: Isoarachidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84899
abbrev: FA 20:0

(+)-18-methyl-eicosanoic acid
type: Class
formula: C21H42O2
inchi: InChI=1S/C21H42O2/c1-3-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
inchikey: WSRCOZWDQPJAQT-UHFFFAOYSA-N
monoisotopicmass: 3.26318481E2
label: Methylarachidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84877
abbrev: FA 21:0

20-methyl-heneicosanoic acid
type: Class
formula: C22H44O2
inchi: InChI=1S/C22H44O2/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(23)24/h21H,3-20H2,1-2H3,(H,23,24)
inchikey: HJVKLVGLKNGYGQ-UHFFFAOYSA-N
monoisotopicmass: 3.40334131E2
label: Isobehenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84901
abbrev: FA 22:0

(+)-20-methyl-docosanoic acid
type: Class
formula: C23H46O2
inchi: InChI=1S/C23H46O2/c1-3-22(2)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23(24)25/h22H,3-21H2,1-2H3,(H,24,25)
inchikey: MZRXKFZYUOFQRH-UHFFFAOYSA-N
monoisotopicmass: 3.54349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84878
abbrev: FA 23:0

22-methyl-tricosanoic acid
type: Class
formula: C24H48O2
inchi: InChI=1S/C24H48O2/c1-23(2)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)
inchikey: KGHVQLDYCDULEN-UHFFFAOYSA-N
monoisotopicmass: 3.68365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84903
abbrev: FA 24:0

3,13,19-trimethyl-tricosanoic acid
type: Class
formula: C26H52O2
inchi: InChI=1S/C26H52O2/c1-5-6-17-23(2)19-15-12-16-20-24(3)18-13-10-8-7-9-11-14-21-25(4)22-26(27)28/h23-25H,5-22H2,1-4H3,(H,27,28)
inchikey: GDZJBTPONREEGO-UHFFFAOYSA-N
monoisotopicmass: 3.96396731E2
label: Phthioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_188172
abbrev: FA 26:0

23-methyl-tetracosanoic acid
type: Class
formula: C25H50O2
inchi: InChI=1S/C25H50O2/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)
inchikey: MLLNAEIUHLSUPB-UHFFFAOYSA-N
monoisotopicmass: 3.82381081E2
label: Isopentacosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165371
abbrev: FA 25:0

24-methyl-pentacosanoic acid
type: Class
formula: C26H52O2
inchi: InChI=1S/C26H52O2/c1-25(2)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26(27)28/h25H,3-24H2,1-2H3,(H,27,28)
inchikey: VGANCIUXOAKSHS-UHFFFAOYSA-N
monoisotopicmass: 3.96396731E2
label: Isocerotic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84905
abbrev: FA 26:0

(+)-24-methyl-hexacosanoic acid
type: Class
formula: C27H54O2
inchi: InChI=1S/C27H54O2/c1-3-26(2)24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27(28)29/h26H,3-25H2,1-2H3,(H,28,29)
inchikey: QKVYEHVFHQOMSA-UHFFFAOYSA-N
monoisotopicmass: 4.10412381E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84884
abbrev: FA 27:0

26-methyl-heptacosanoic acid
type: Class
formula: C28H56O2
inchi: InChI=1S/C28H56O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28(29)30/h27H,3-26H2,1-2H3,(H,29,30)
inchikey: GCUBDUZUXAQLEY-UHFFFAOYSA-N
monoisotopicmass: 4.24428031E2
label: Isomontanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84907
abbrev: FA 28:0

2,4,6-trimethyl-octacosanoic acid
type: Class
formula: C31H62O2
inchikey: YDTQWDHOFAHJMF-UHFFFAOYSA-N
monoisotopicmass: 4.66474981E2
label: D-Mycoceranic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 31:0

(+)-28-methyl-triacontanoic acid
type: Class
formula: C31H62O2
inchi: InChI=1S/C31H62O2/c1-3-30(2)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)33/h30H,3-29H2,1-2H3,(H,32,33)
inchikey: OISCYPVRYCYZHI-UHFFFAOYSA-N
monoisotopicmass: 4.66474981E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84887
abbrev: FA 31:0

2-methyl-2Z-butenoic acid
type: Class
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
inchikey: UIERETOOQGIECD-ARJAWSKDSA-N
monoisotopicmass: 1.0005243E2
label: Angelic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_36431
abbrev: FA 5:1

2-methyl-2E-butenoic acid
type: Class
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
inchikey: UIERETOOQGIECD-ONEGZZNKSA-N
monoisotopicmass: 1.0005243E2
label: Tiglic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI 9592
abbrev: FA 5:1

4-methyl-3-pentenoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H,7,8)
inchikey: CQJHAULYLJXJNL-UHFFFAOYSA-N
monoisotopicmass: 1.1406808E2
label: Pyroterebic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_143856
abbrev: FA 6:1

(+)-C27-Phthienoic acid
type: Class
formula: C27H52O2
inchi: InChI=1S/C27H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-25(3)23-26(4)27(28)29/h23-25H,5-22H2,1-4H3,(H,28,29)/b26-23+
inchikey: SJZUAPDAKBPNQS-WNAAXNPUSA-N
monoisotopicmass: 4.08396731E2
label: 2,4,6-trimethyl-2Z-tetracosenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_62577
abbrev: FA 27:1

2,6-dimethyl-nonadecanoic acid
type: Class
formula: C21H42O2
inchi: InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(2)17-15-18-20(3)21(22)23/h19-20H,4-18H2,1-3H3,(H,22,23)
inchikey: HYMJVTSGFBXLEJ-UHFFFAOYSA-N
monoisotopicmass: 3.26318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 21:0

2,6-dimethyl-undecanoic acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-4-5-6-8-11(2)9-7-10-12(3)13(14)15/h11-12H,4-10H2,1-3H3,(H,14,15)
inchikey: IWXDJEKSYPEGNS-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180105
abbrev: FA 13:0

2,6-dimethyl-dodecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-4-5-6-7-9-12(2)10-8-11-13(3)14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
inchikey: NLVPGERPIDEVFU-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179782
abbrev: FA 14:0

4,8-dimethyl-dodecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-4-5-7-12(2)8-6-9-13(3)10-11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
inchikey: JJPHRFRFAKPCKZ-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165367
abbrev: FA 14:0

4,12-dimethyl-tridecanoic acid
type: Class
formula: C15H30O2
inchi: InChI=1S/C15H30O2/c1-13(2)9-7-5-4-6-8-10-14(3)11-12-15(16)17/h13-14H,4-12H2,1-3H3,(H,16,17)
inchikey: RDZXTVBBIJUSEU-UHFFFAOYSA-N
monoisotopicmass: 2.42224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196012
abbrev: FA 15:0

2,6-dimethyl-tetradecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-4-5-6-7-8-9-11-14(2)12-10-13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
inchikey: GZYWCKOFFXOPCO-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179733
abbrev: FA 16:0

2,8-dimethyl-tetradecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-4-5-6-8-11-14(2)12-9-7-10-13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
inchikey: HLHAXDABLHWXIR-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179732
abbrev: FA 16:0

2,6-dimethyl-pentadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-12-15(2)13-11-14-16(3)17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)
inchikey: WHGDPKYLDRGDLD-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179964
abbrev: FA 17:0

4,8-dimethyl-pentadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-4-5-6-7-8-10-15(2)11-9-12-16(3)13-14-17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)
inchikey: DNABEQSTCCBXAX-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179963
abbrev: FA 17:0

2,6-dimethyl-hexadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-13-16(2)14-12-15-17(3)18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
inchikey: AIJKUSCCAPFTGP-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196206
abbrev: FA 18:0

4,8-dimethyl-hexadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-4-5-6-7-8-9-11-16(2)12-10-13-17(3)14-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
inchikey: ISAMPHAHOXYTOP-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196208
abbrev: FA 18:0

2,14-dimethyl-hexadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-4-16(2)14-12-10-8-6-5-7-9-11-13-15-17(3)18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
inchikey: RAHRDOCUVSWWOA-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196207
abbrev: FA 18:0

4,14-dimethyl-hexadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-4-16(2)12-10-8-6-5-7-9-11-13-17(3)14-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
inchikey: BVGAZFZXQVVCMI-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165366
abbrev: FA 18:0

6,14-dimethyl-hexadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-4-16(2)12-8-6-5-7-9-13-17(3)14-10-11-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
inchikey: RYLGKLLOKWKKRY-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196209
abbrev: FA 18:0

4,14-dimethyl-heptadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-4-12-17(2)13-10-8-6-5-7-9-11-14-18(3)15-16-19(20)21/h17-18H,4-16H2,1-3H3,(H,20,21)
inchikey: QZEMXPHXFNUFBC-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179620
abbrev: FA 19:0

2,14-dimethyl-octadecanoic acid
type: Class
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-4-5-15-18(2)16-13-11-9-7-6-8-10-12-14-17-19(3)20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
inchikey: PSVBWHRVSJXHLW-UHFFFAOYSA-N
monoisotopicmass: 3.12302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179706
abbrev: FA 20:0

4,14-dimethyl-octadecanoic acid
type: Class
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-4-5-13-18(2)14-11-9-7-6-8-10-12-15-19(3)16-17-20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
inchikey: FGNSVLSYJYYWPY-UHFFFAOYSA-N
monoisotopicmass: 3.12302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179705
abbrev: FA 20:0

6,14-dimethyl-octadecanoic acid
type: Class
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-4-5-13-18(2)14-9-7-6-8-10-15-19(3)16-11-12-17-20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
inchikey: CTVSLGVSIPMXMI-UHFFFAOYSA-N
monoisotopicmass: 3.12302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179709
abbrev: FA 20:0

4,16-dimethyl-octadecanoic acid
type: Class
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-4-18(2)14-12-10-8-6-5-7-9-11-13-15-19(3)16-17-20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
inchikey: QDBYRBDEXZUENO-UHFFFAOYSA-N
monoisotopicmass: 3.12302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179708
abbrev: FA 20:0

6,16-dimethyl-octadecanoic acid
type: Class
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-4-18(2)14-10-8-6-5-7-9-11-15-19(3)16-12-13-17-20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
inchikey: ZXPKHDXVJALDDO-UHFFFAOYSA-N
monoisotopicmass: 3.12302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179707
abbrev: FA 20:0

2-methyl-undecanoic acid
type: Class
formula: C12H24O2
inchi: InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11(2)12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
inchikey: PFFITEZSYJIHHR-UHFFFAOYSA-N
monoisotopicmass: 2.0017763E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179754
abbrev: FA 12:0

3-methyl-undecanoic acid
type: Class
formula: C12H24O2
inchi: InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-11(2)10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
inchikey: SHTJBHFHMAKAPT-UHFFFAOYSA-N
monoisotopicmass: 2.0017763E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_85059
abbrev: FA 12:0

4-methyl-undecanoic acid
type: Class
formula: C12H24O2
inchi: InChI=1S/C12H24O2/c1-3-4-5-6-7-8-11(2)9-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
inchikey: OABYOCLFOSWJJT-UHFFFAOYSA-N
monoisotopicmass: 2.0017763E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179755
abbrev: FA 12:0

5-methyl-undecanoic acid
type: Class
formula: C12H24O2
inchi: InChI=1S/C12H24O2/c1-3-4-5-6-8-11(2)9-7-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
inchikey: QGQVTZUPMLKUNC-UHFFFAOYSA-N
monoisotopicmass: 2.0017763E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179757
abbrev: FA 12:0

6-methyl-undecanoic acid
type: Class
formula: C12H24O2
inchi: InChI=1S/C12H24O2/c1-3-4-5-8-11(2)9-6-7-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
inchikey: HNXLTEHVPWBRCS-UHFFFAOYSA-N
monoisotopicmass: 2.0017763E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179756
abbrev: FA 12:0

8-methyl-undecanoic acid
type: Class
formula: C12H24O2
inchi: InChI=1S/C12H24O2/c1-3-8-11(2)9-6-4-5-7-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
inchikey: AJMIXSSSARSTCI-UHFFFAOYSA-N
monoisotopicmass: 2.0017763E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179759
abbrev: FA 12:0

9-methyl-undecanoic acid
type: Class
formula: C12H24O2
inchi: InChI=1S/C12H24O2/c1-3-11(2)9-7-5-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
inchikey: QZCDMZMKQOGSQO-UHFFFAOYSA-N
monoisotopicmass: 2.0017763E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179758
abbrev: FA 12:0

2-methyl lauric acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
inchikey: ONEKODVPFBOORO-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
label: 2-methyl-dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180111
abbrev: FA 13:0

3-methyl lauric acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-12(2)11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
inchikey: KZNOWILOENIYSH-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
label: 3-methyl-dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180110
abbrev: FA 13:0

4-methyl lauric acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-12(2)10-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
inchikey: STDXFMGAJMQOFF-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
label: 4-methyl-dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180107
abbrev: FA 13:0

5-methyl lauric acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-3-4-5-6-7-9-12(2)10-8-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
inchikey: HNTXGDAFQRNMIQ-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
label: 5-methyl-dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180106
abbrev: FA 13:0

6-methyl lauric acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-3-4-5-6-9-12(2)10-7-8-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
inchikey: HOVCITDPJUCZHG-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
label: 6-methyl-dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180109
abbrev: FA 13:0

7-methyl lauric acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-3-4-6-9-12(2)10-7-5-8-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
inchikey: RWFHMLRFOREJRJ-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
label: 7-methyl-dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180108
abbrev: FA 13:0

8-methyl lauric acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-3-4-9-12(2)10-7-5-6-8-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
inchikey: SKXYWXJIOLLVCT-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
label: 8-methyl-dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180112
abbrev: FA 13:0

9-methyl lauric acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-3-9-12(2)10-7-5-4-6-8-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
inchikey: NQWYEPPIHUGBHF-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
label: 9-methyl-dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_88622
abbrev: FA 13:0

2-methyl-tridecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13(2)14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
inchikey: FZUUHEZQCQGYNX-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179783
abbrev: FA 14:0

4-methyl-tridecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-13(2)11-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
inchikey: IDXDUHBRWOLZLO-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179784
abbrev: FA 14:0

2-methyl-propanoic acid
type: Class
formula: C4H8O2
inchi: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
inchikey: KQNPFQTWMSNSAP-UHFFFAOYSA-N
monoisotopicmass: 8.805243E1
label: Isobutyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_16135
abbrev: FA 4:0

2-methyl-butanoic acid
type: Class
formula: C5H10O2
inchi: InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
inchikey: WLAMNBDJUVNPJU-UHFFFAOYSA-N
monoisotopicmass: 1.0206808E2
label: alpha-methyl butyric Acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_37070
abbrev: FA 5:0

2,2-dimethyl-propanoic acid
type: Class
formula: C5H10O2
inchi: InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
inchikey: IUGYQRQAERSCNH-UHFFFAOYSA-N
monoisotopicmass: 1.0206808E2
label: Pivalic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_45133
abbrev: FA 5:0

2-methyl valeric acid
type: Class
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
inchikey: OVBFMEVBMNZIBR-UHFFFAOYSA-N
monoisotopicmass: 1.1608373E2
label: 2-methyl-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_167644
abbrev: FA 6:0

3-methyl valeric acid
type: Class
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
inchikey: IGIDLTISMCAULB-UHFFFAOYSA-N
monoisotopicmass: 1.1608373E2
label: 3-methyl-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_166883
abbrev: FA 6:0

4-methyl-pentanoic acid
type: Class
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
inchikey: FGKJLKRYENPLQH-UHFFFAOYSA-N
monoisotopicmass: 1.1608373E2
label: Isocaproic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_74903
abbrev: FA 6:0

2-ethyl-butanoic acid
type: Class
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
inchikey: OXQGTIUCKGYOAA-UHFFFAOYSA-N
monoisotopicmass: 1.1608373E2
label: diethyl acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_173424
abbrev: FA 6:0

2,2-dimethyl-butanoic acid
type: Class
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
inchikey: VUAXHMVRKOTJKP-UHFFFAOYSA-N
monoisotopicmass: 1.1608373E2
label: dimethyl ethyl acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_38649
abbrev: FA 6:0

3,3-dimethyl-butanoic acid
type: Class
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
inchikey: MLMQPDHYNJCQAO-UHFFFAOYSA-N
monoisotopicmass: 1.1608373E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_38647
abbrev: FA 6:0

2-methyl-hexanoic acid
type: Class
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
inchikey: CVKMFSAVYPAZTQ-UHFFFAOYSA-N
monoisotopicmass: 1.3009938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_138489
abbrev: FA 7:0

3-methyl-hexanoic acid
type: Class
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
inchikey: NZQMQVJXSRMTCJ-UHFFFAOYSA-N
monoisotopicmass: 1.3009938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165362
abbrev: FA 7:0

4-methyl-hexanoic acid
type: Class
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
inchikey: DIVCBWJKVSFZKJ-UHFFFAOYSA-N
monoisotopicmass: 1.3009938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180001
abbrev: FA 7:0

5-methyl-hexanoic acid
type: Class
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
inchikey: MHPUGCYGQWGLJL-UHFFFAOYSA-N
monoisotopicmass: 1.3009938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179997
abbrev: FA 7:0

2-ethyl-pentanoic acid
type: Class
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
inchikey: BAZMYXGARXYAEQ-UHFFFAOYSA-N
monoisotopicmass: 1.3009938E2
label: alpha-ethyl valeric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180002
abbrev: FA 7:0

2,2-dimethyl-pentanoic acid
type: Class
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)
inchikey: ZRYCZAWRXHAAPZ-UHFFFAOYSA-N
monoisotopicmass: 1.3009938E2
label: alpha,alpha-dimethyl valeric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180000
abbrev: FA 7:0

3,3-dimethyl-pentanoic acid
type: Class
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-4-7(2,3)5-6(8)9/h4-5H2,1-3H3,(H,8,9)
inchikey: UPURPFNAFBQPON-UHFFFAOYSA-N
monoisotopicmass: 1.3009938E2
label: beta,beta-dimethyl valeric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179999
abbrev: FA 7:0

2-ethyl-hexanoic acid
type: Class
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
inchikey: OBETXYAYXDNJHR-UHFFFAOYSA-N
monoisotopicmass: 1.4411503E2
label: alpha-ethyl caproic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_89058
abbrev: FA 8:0

2-methyl-octanoic acid
type: Class
formula: C9H18O2
inchi: InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
inchikey: YSEQNZOXHCKLOG-UHFFFAOYSA-N
monoisotopicmass: 1.5813068E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179886
abbrev: FA 9:0

2-methyl nonaoic acid
type: Class
formula: C10H20O2
inchi: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9(2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
inchikey: KUSYIGBGHPOWEL-UHFFFAOYSA-N
monoisotopicmass: 1.7214633E2
label: 2-methyl-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179555
abbrev: FA 10:0

2-methyl-decanoic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10(2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
inchikey: SAOSCTYRONNFTC-UHFFFAOYSA-N
monoisotopicmass: 1.8616198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179387
abbrev: FA 11:0

2-methyl-tetradecanoic acid
type: Class
formula: C15H30O2
inchi: InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
inchikey: BWCZFWIRIAYLHO-UHFFFAOYSA-N
monoisotopicmass: 2.42224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196013
abbrev: FA 15:0

2-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: AXPAUZGVNGEWJD-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_85057
abbrev: FA 17:0

2-methyl-heptadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
inchikey: IZUAKSAWRVFBPE-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
label: lambda isostearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196210
abbrev: FA 18:0

15,15-dimethyl-hexadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-18(2,3)16-14-12-10-8-6-4-5-7-9-11-13-15-17(19)20/h4-16H2,1-3H3,(H,19,20)
inchikey: DYIMLZQLABJBJH-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
label: neostearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196211
abbrev: FA 18:0

2-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: GBZDALHFANHWOF-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_144310
abbrev: FA 19:0

17-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: YETXGSGCWODRAA-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
label: Isononadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_133136
abbrev: FA 19:0

3-methyl-2-butenoic acid
type: Class
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)
inchikey: YYPNJNDODFVZLE-UHFFFAOYSA-N
monoisotopicmass: 1.0005243E2
label: beta,beta-dimethyl acrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_37127
abbrev: FA 5:1

4-methyl-4-pentenoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h1,3-4H2,2H3,(H,7,8)
inchikey: HVHBTFZQLHOFHA-UHFFFAOYSA-N
monoisotopicmass: 1.1406808E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180384
abbrev: FA 6:1

2,2-dimethyl-3-butenoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-4-6(2,3)5(7)8/h4H,1H2,2-3H3,(H,7,8)
inchikey: SCFWAOWWAANBPY-UHFFFAOYSA-N
monoisotopicmass: 1.1406808E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180383
abbrev: FA 6:1

2-methyl-2Z-hexenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5-
inchikey: AKOVMBAFZSPEQU-WAYWQWQTSA-N
monoisotopicmass: 1.2808373E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179471
abbrev: FA 7:1

2-methyl-2E-hexenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5+
inchikey: AKOVMBAFZSPEQU-AATRIKPKSA-N
monoisotopicmass: 1.2808373E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179470
abbrev: FA 7:1

2-methyl-2E-heptenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-3-4-5-6-7(2)8(9)10/h6H,3-5H2,1-2H3,(H,9,10)/b7-6+
inchikey: FYZUENZXIZCLAZ-VOTSOKGWSA-N
monoisotopicmass: 1.4209938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180318
abbrev: FA 8:1

6-methyl-5-octenoic acid
type: Class
formula: C9H16O2
inchi: InChI=1S/C9H16O2/c1-3-8(2)6-4-5-7-9(10)11/h6H,3-5,7H2,1-2H3,(H,10,11)/b8-6+
inchikey: GZECLTXOPLOEJY-SOFGYWHQSA-N
monoisotopicmass: 1.5611503E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186833
abbrev: FA 9:1

3,7-dimethyl-6-octenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
inchikey: GJWSUKYXUMVMGX-UHFFFAOYSA-N
monoisotopicmass: 1.7013068E2
label: Citronellic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_80507
abbrev: FA 10:1

3,7-dimethyl-2-octenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/b9-7+
inchikey: BQQFWOQXMICUGN-VQHVLOKHSA-N
monoisotopicmass: 1.7013068E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165359
abbrev: FA 10:1

5-methyl-2-undecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-3-4-5-6-8-11(2)9-7-10-12(13)14/h7,10-11H,3-6,8-9H2,1-2H3,(H,13,14)/b10-7+
inchikey: ROYFWQWGQUTENN-JXMROGBWSA-N
monoisotopicmass: 1.9816198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179204
abbrev: FA 12:1

2-methyl-2-dodecenoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h11H,3-10H2,1-2H3,(H,14,15)/b12-11+
inchikey: JVAKNQLSBYBCSZ-VAWYXSNFSA-N
monoisotopicmass: 2.1217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_176863
abbrev: FA 13:1

5-methyl-2E-tridecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-3-4-5-6-7-8-10-13(2)11-9-12-14(15)16/h9,12-13H,3-8,10-11H2,1-2H3,(H,15,16)/b12-9+
inchikey: HRQKXMSCZPCUSK-FMIVXFBMSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165368
abbrev: FA 14:1

2,5-dimethyl-2E-tridecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-13(2)11-12-14(3)15(16)17/h12-13H,4-11H2,1-3H3,(H,16,17)/b14-12+
inchikey: GEHLKZFXBXCLPH-WYMLVPIESA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:1

3-methyl-3-butenoic acid
type: Class
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h1,3H2,2H3,(H,6,7)
inchikey: IGRURXZWJCSNKU-UHFFFAOYSA-N
monoisotopicmass: 1.0005243E2
label: Isopropenylacetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_178220
abbrev: FA 5:1

2-ethyl acrylic acid
type: Class
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h2-3H2,1H3,(H,6,7)
inchikey: WROUWQQRXUBECT-UHFFFAOYSA-N
monoisotopicmass: 1.0005243E2
label: 2-ethyl-2-propenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_84978
abbrev: FA 5:1

3-isopropyl acrylic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+
inchikey: QAOXMQCWUWZZNC-ONEGZZNKSA-N
monoisotopicmass: 1.1406808E2
label: 4-methyl-2E-pentenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_173387
abbrev: FA 6:1

3-methyl-4-pentenoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
inchikey: QNPZXLANENFTFK-UHFFFAOYSA-N
monoisotopicmass: 1.1406808E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180391
abbrev: FA 6:1

3-methyl-2Z-pentenoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4-
inchikey: RSFQOQOSOMBPEJ-PLNGDYQASA-N
monoisotopicmass: 1.1406808E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180390
abbrev: FA 6:1

3-Methyl-3Z-Pentenoic Acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h3H,4H2,1-2H3,(H,7,8)/b5-3-
inchikey: OGVROELYPSGUQB-HYXAFXHYSA-N
monoisotopicmass: 1.1406808E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165360
abbrev: FA 6:1

2,3-dimethyl-2-butenoic Acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-4(2)5(3)6(7)8/h1-3H3,(H,7,8)
inchikey: UAXOELSVPTZZQG-UHFFFAOYSA-N
monoisotopicmass: 1.1406808E2
label: trimethyl acrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180389
abbrev: FA 6:1

5-methyl-5-hexenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h1,3-5H2,2H3,(H,8,9)
inchikey: HCLVGAZUVMWYLF-UHFFFAOYSA-N
monoisotopicmass: 1.2808373E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179473
abbrev: FA 7:1

2-butyl acrylic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-3-4-5-6(2)7(8)9/h2-5H2,1H3,(H,8,9)
inchikey: FEUFEGJTJIHPOF-UHFFFAOYSA-N
monoisotopicmass: 1.2808373E2
label: 2-butyl-2-propenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179472
abbrev: FA 7:1

4,4-dimethyl-2E-pentenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-7(2,3)5-4-6(8)9/h4-5H,1-3H3,(H,8,9)/b5-4+
inchikey: RPVPMVHPERYZNF-SNAWJCMRSA-N
monoisotopicmass: 1.2808373E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179474
abbrev: FA 7:1

4,4-dimethyl-2Z-pentenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-7(2,3)5-4-6(8)9/h4-5H,1-3H3,(H,8,9)/b5-4-
inchikey: RPVPMVHPERYZNF-PLNGDYQASA-N
monoisotopicmass: 1.2808373E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179476
abbrev: FA 7:1

2,2-dimethyl-4-pentenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-4-5-7(2,3)6(8)9/h4H,1,5H2,2-3H3,(H,8,9)
inchikey: BGUAPYRHJPWVEM-UHFFFAOYSA-N
monoisotopicmass: 1.2808373E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179475
abbrev: FA 7:1

2-isopropyl trans-crotonic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-4-6(5(2)3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+
inchikey: KPEWEFZCRAOPHV-GQCTYLIASA-N
monoisotopicmass: 1.2808373E2
label: 2-isopropyl-2E-butenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179477
abbrev: FA 7:1

3-isopropyl-3-butenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-5(2)6(3)4-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)
inchikey: WAQITWDITIAIFA-UHFFFAOYSA-N
monoisotopicmass: 1.2808373E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 7:1

6-methyl-5-heptenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-7(2)5-3-4-6-8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)
inchikey: DYVOOEFFLMGPDG-UHFFFAOYSA-N
monoisotopicmass: 1.4209938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180320
abbrev: FA 8:1

2-ethyl-3E-hexenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-3-5-6-7(4-2)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)/b6-5+
inchikey: VWZXHJHVCHFVNZ-AATRIKPKSA-N
monoisotopicmass: 1.4209938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180319
abbrev: FA 8:1

3-tert-butyl-3-butenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-6(5-7(9)10)8(2,3)4/h1,5H2,2-4H3,(H,9,10)
inchikey: FDWQCFNUKWFHGX-UHFFFAOYSA-N
monoisotopicmass: 1.4209938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165365
abbrev: FA 8:1

2-amyl 3-butenoic acid
type: Class
formula: C9H16O2
inchi: InChI=1S/C9H16O2/c1-3-5-6-7-8(4-2)9(10)11/h4,8H,2-3,5-7H2,1H3,(H,10,11)
inchikey: VJICCZIMJKBXME-UHFFFAOYSA-N
monoisotopicmass: 1.5611503E2
label: 2-pentyl-3-butenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_191228
abbrev: FA 9:1

3-methyl-2-nonenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-3-4-5-6-7-9(2)8-10(11)12/h8H,3-7H2,1-2H3,(H,11,12)/b9-8+
inchikey: UOOWECZOWUNYLA-CMDGGOBGSA-N
monoisotopicmass: 1.7013068E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180248
abbrev: FA 10:1

2,7-dimethyl-6-octenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-8(2)6-4-5-7-9(3)10(11)12/h6,9H,4-5,7H2,1-3H3,(H,11,12)
inchikey: VKYRDDIUSBRMFK-UHFFFAOYSA-N
monoisotopicmass: 1.7013068E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180247
abbrev: FA 10:1

2,7-dimethyl-6-nonenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-4-9(2)7-5-6-8-10(3)11(12)13/h5,7,9-10H,4,6,8H2,1-3H3,(H,12,13)/b7-5+
inchikey: UNJOGCWDIKMFQI-FNORWQNLSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_191241
abbrev: FA 11:1

4-ethyl-2-methyl-2-octenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-4-6-7-10(5-2)8-9(3)11(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)/b9-8+
inchikey: IELNITCVUCUISP-CMDGGOBGSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196484
abbrev: FA 11:1

2,4-dimethyl-2E-dodecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-12(2)11-13(3)14(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)/b13-11+
inchikey: OHVNJWXMFIBONR-ACCUITESSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179350
abbrev: FA 14:1

2,4-dimethyl-2E-tetradecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-14(2)13-15(3)16(17)18/h13-14H,4-12H2,1-3H3,(H,17,18)/b15-13+
inchikey: NPIJNQJBRSVMRD-FYWRMAATSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179829
abbrev: FA 16:1

2,4-dimethyl-2-eicosenoic acid
type: Class
formula: C22H42O2
inchi: InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(2)19-21(3)22(23)24/h19-20H,4-18H2,1-3H3,(H,23,24)/b21-19+
inchikey: LHBAARNMEIXEDK-XUTLUUPISA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180037
abbrev: FA 22:1

2-propyl-9Z-octadecenoic Acid
type: Class
formula: C21H40O2
inchi: InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(18-4-2)21(22)23/h11-12,20H,3-10,13-19H2,1-2H3,(H,22,23)/b12-11-
inchikey: QWGQAJUZRWMSJR-QXMHVHEDSA-N
monoisotopicmass: 3.24302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_184176
abbrev: FA 21:1

2-methyl-2-eicosenoic acid
type: Class
formula: C21H40O2
inchi: InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23/h19H,3-18H2,1-2H3,(H,22,23)/b20-19+
inchikey: DIXAYZJEZFMZEV-FMQUCBEESA-N
monoisotopicmass: 3.24302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:1

4-heptyl-2-methyl-2-undecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-4-6-8-10-12-14-18(16-17(3)19(20)21)15-13-11-9-7-5-2/h16,18H,4-15H2,1-3H3,(H,20,21)/b17-16+
inchikey: LJWGTWOYHJBWJZ-WUKNDPDISA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196580
abbrev: FA 19:1

2,5-dimethyl-2-heptadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2)15-16-18(3)19(20)21/h16-17H,4-15H2,1-3H3,(H,20,21)/b18-16+
inchikey: LSSLOHSHEPXVOI-FBMGVBCBSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196581
abbrev: FA 19:1

14-methyl-4-pentadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h8,10,15H,3-7,9,11-14H2,1-2H3,(H,17,18)/b10-8-
inchikey: CJTYPEFCSFAJMF-NTMALXAHSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179830
abbrev: FA 16:1

2-hexyl-2-decenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h14H,3-13H2,1-2H3,(H,17,18)/b15-14+
inchikey: ZXZOWWGAPUWGNK-CCEZHUSRSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165357
abbrev: FA 16:1

6-isopentyl-9-methyl-5-decenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-13(2)9-11-15(12-10-14(3)4)7-5-6-8-16(17)18/h7,13-14H,5-6,8-12H2,1-4H3,(H,17,18)
inchikey: KELKYPRDCHFVOX-UHFFFAOYSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179831
abbrev: FA 16:1

2-decyl-2-propenoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h2-11H2,1H3,(H,14,15)
inchikey: YWZKHUXXEKYLCD-UHFFFAOYSA-N
monoisotopicmass: 2.1217763E2
label: 2-methylene dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195956
abbrev: FA 13:1

4,4-dimethyl valeric acid
type: Class
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
inchikey: HMMSZUQCCUWXRA-UHFFFAOYSA-N
monoisotopicmass: 1.3009938E2
label: 4,4-dimethyl-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180005
abbrev: FA 7:0

3,4-dimethyl valeric acid
type: Class
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-5(2)6(3)4-7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
inchikey: GETAKGOKCSRVLZ-UHFFFAOYSA-N
monoisotopicmass: 1.3009938E2
label: 3,4-dimethyl-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180004
abbrev: FA 7:0

2-ethyl-2-methyl-butanoic acid
type: Class
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-4-7(3,5-2)6(8)9/h4-5H2,1-3H3,(H,8,9)
inchikey: LHJPKLWGGMAUAN-UHFFFAOYSA-N
monoisotopicmass: 1.3009938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180006
abbrev: FA 7:0

3-methyl-heptanoic acid
type: Class
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-3-4-5-7(2)6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
inchikey: DVESMWJFKVAFSP-UHFFFAOYSA-N
monoisotopicmass: 1.4411503E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165361
abbrev: FA 8:0

5-methyl-heptanoic acid
type: Class
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-3-7(2)5-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
inchikey: OJTHHBCWUMTZEY-UHFFFAOYSA-N
monoisotopicmass: 1.4411503E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179956
abbrev: FA 8:0

4-ethyl-hexanoic acid
type: Class
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-3-7(4-2)5-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
inchikey: KJYXVWHRKCNYKU-UHFFFAOYSA-N
monoisotopicmass: 1.4411503E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179955
abbrev: FA 8:0

2,2-dimethyl-hexanoic acid
type: Class
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-4-5-6-8(2,3)7(9)10/h4-6H2,1-3H3,(H,9,10)
inchikey: YTTWDTVYXAEAJA-UHFFFAOYSA-N
monoisotopicmass: 1.4411503E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179958
abbrev: FA 8:0

2-ethyl-2-methyl valeric ccid
type: Class
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-4-6-8(3,5-2)7(9)10/h4-6H2,1-3H3,(H,9,10)
inchikey: WUWPVNVBYOKSSZ-UHFFFAOYSA-N
monoisotopicmass: 1.4411503E2
label: 2-ethyl-2-methyl-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179957
abbrev: FA 8:0

2-isopropyl-hexanoic acid
type: Class
formula: C9H18O2
inchi: InChI=1S/C9H18O2/c1-4-5-6-8(7(2)3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
inchikey: GNAKABFIXDKLCV-UHFFFAOYSA-N
monoisotopicmass: 1.5813068E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179889
abbrev: FA 9:0

3,5,5-trimethyl-hexanoic acid
type: Class
formula: C9H18O2
inchi: InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)
inchikey: OILUAKBAMVLXGF-UHFFFAOYSA-N
monoisotopicmass: 1.5813068E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179890
abbrev: FA 9:0

3-methyl-nonanoic acid
type: Class
formula: C10H20O2
inchi: InChI=1S/C10H20O2/c1-3-4-5-6-7-9(2)8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
inchikey: ZDIXEQISPGRDEB-UHFFFAOYSA-N
monoisotopicmass: 1.7214633E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165363
abbrev: FA 10:0

3,3-dimethyl-nonanoic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-4-5-6-7-8-11(2,3)9-10(12)13/h4-9H2,1-3H3,(H,12,13)
inchikey: YTISNWDNLZEHQA-UHFFFAOYSA-N
monoisotopicmass: 1.8616198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179394
abbrev: FA 11:0

3R-methyl-undecanoic acid
type: Class
formula: C12H24O2
inchi: InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-11(2)10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)/t11-/m1/s1
inchikey: SHTJBHFHMAKAPT-LLVKDONJSA-N
monoisotopicmass: 2.0017763E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179760
abbrev: FA 12:0

4S-methyl-dodecanoic acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-12(2)10-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)/t12-/m1/s1
inchikey: STDXFMGAJMQOFF-GFCCVEGCSA-N
monoisotopicmass: 2.1419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180117
abbrev: FA 13:0

2-ethyl-dodecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13(4-2)14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
inchikey: SDKATVAEMVYSAB-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179789
abbrev: FA 14:0

9-methyl-tridecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-3-4-10-13(2)11-8-6-5-7-9-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
inchikey: YANLIXDCINUGHT-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179788
abbrev: FA 14:0

6-ethyl-dodecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-3-5-7-10-13(4-2)11-8-6-9-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
inchikey: AFEHRLAIHHGYEJ-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179791
abbrev: FA 14:0

2,4-dimethyl-dodecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-12(2)11-13(3)14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
inchikey: LLUSAGIILYQJOM-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179790
abbrev: FA 14:0

3-methyl-tetradecanoic acid
type: Class
formula: C15H30O2
inchi: InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-14(2)13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
inchikey: MMLCLKVIHVRDLL-UHFFFAOYSA-N
monoisotopicmass: 2.42224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196023
abbrev: FA 15:0

11-methyl-tetradecanoic acid
type: Class
formula: C15H30O2
inchi: InChI=1S/C15H30O2/c1-3-11-14(2)12-9-7-5-4-6-8-10-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
inchikey: DBKQCGFTUXDXOL-UHFFFAOYSA-N
monoisotopicmass: 2.42224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196022
abbrev: FA 15:0

3-methyl-pentadecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
inchikey: RCLBZEBFPBWRIH-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179738
abbrev: FA 16:0

2-propyl-tridecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-14-15(13-4-2)16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
inchikey: HHBIYJMJDKRUCS-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165358
abbrev: FA 16:0

2-hexyl-decanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
inchikey: JMOLZNNXZPAGBH-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_135056
abbrev: FA 16:0

3-ethyl-3-methyl-tridecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-4-6-7-8-9-10-11-12-13-16(3,5-2)14-15(17)18/h4-14H2,1-3H3,(H,17,18)
inchikey: JZQUUIPHTDDVNQ-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179739
abbrev: FA 16:0

2-heptyl-nonanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15(16(17)18)14-12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
inchikey: QMTHILFALDMACK-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179741
abbrev: FA 16:0

6-ethyl-tetradecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-3-5-6-7-8-9-12-15(4-2)13-10-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
inchikey: WIPVQZGTFMRAOK-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179740
abbrev: FA 16:0

2,4-dimethyl-tetradecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-14(2)13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
inchikey: ZFUWGIZDTXJFSP-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165356
abbrev: FA 16:0

3,5-dimethyl-tetradecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-14(2)12-15(3)13-16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
inchikey: SKJWMMVZGNPZES-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179744
abbrev: FA 16:0

4-hexyl-decanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-3-5-7-9-11-15(13-14-16(17)18)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
inchikey: AZHXWUMGGSQNGZ-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179743
abbrev: FA 16:0

2-ethyl-2-butyl-decanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-4-7-9-10-11-12-14-16(6-3,15(17)18)13-8-5-2/h4-14H2,1-3H3,(H,17,18)
inchikey: ZMLHDQDNVVPPRP-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179742
abbrev: FA 16:0

11,15-dimethyl-hexadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-16(2)12-11-14-17(3)13-9-7-5-4-6-8-10-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
inchikey: NYKISRLKEWYNPX-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196221
abbrev: FA 18:0

15-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-15-18(2)16-13-11-9-7-5-4-6-8-10-12-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: CAQXMMYLDYPGTB-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179631
abbrev: FA 19:0

6-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-15-18(2)16-13-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: OOENENRRTKPZNT-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 19:0

3-methyl-butanoic acid
type: Class
formula: C5H10O2
inchi: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
inchikey: GWYFCOCPABKNJV-UHFFFAOYSA-N
monoisotopicmass: 1.0206808E2
label: Isovaleric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_28484
abbrev: FA 5:0

3-methyl-decanoic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
inchikey: ZGDHFHMCRRTRAW-UHFFFAOYSA-N
monoisotopicmass: 1.8616198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179399
abbrev: FA 11:0

4-methyl-decanoic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-3-4-5-6-7-10(2)8-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
inchikey: NODQTVSOELONGZ-UHFFFAOYSA-N
monoisotopicmass: 1.8616198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179398
abbrev: FA 11:0

5-methyl-decanoic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-3-4-5-7-10(2)8-6-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
inchikey: BDUUYZWYAVGTOK-UHFFFAOYSA-N
monoisotopicmass: 1.8616198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179396
abbrev: FA 11:0

6-methyl-decanoic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-3-4-7-10(2)8-5-6-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
inchikey: NVOAFFMZXPOERM-UHFFFAOYSA-N
monoisotopicmass: 1.8616198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179395
abbrev: FA 11:0

7-methyl-decanoic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-3-7-10(2)8-5-4-6-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
inchikey: YEHCRJVIRISVRJ-UHFFFAOYSA-N
monoisotopicmass: 1.8616198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179397
abbrev: FA 11:0

8-methyl-decanoic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-3-10(2)8-6-4-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
inchikey: WGKCPRZDCLXOIQ-UHFFFAOYSA-N
monoisotopicmass: 1.8616198E2
label: Anteisoundecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179377
abbrev: FA 11:0

9-methyl-decanoic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-10(2)8-6-4-3-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
inchikey: VSAJTRPXXNCHGB-UHFFFAOYSA-N
monoisotopicmass: 1.8616198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179374
abbrev: FA 11:0

2,5-dimethyl-dodecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-4-5-6-7-8-9-12(2)10-11-13(3)14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
inchikey: ABQDDNHUZOOWMZ-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179792
abbrev: FA 14:0

11-methyl-tridecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-3-13(2)11-9-7-5-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
inchikey: JIPTZBYHWFNYFB-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
label: Anteisomyristic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165370
abbrev: FA 14:0

3-methyl-tridecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-13(2)12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
inchikey: JQEQRSJZNQFUBC-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179793
abbrev: FA 14:0

13-methyl-pentadecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
inchikey: WWASUAHHCLARMF-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
label: Anteisohexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_131414
abbrev: FA 16:0

10-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-4-5-10-13-16(2)14-11-8-6-7-9-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: ITFOCFQAVPXNEV-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165354
abbrev: FA 17:0

11-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-4-10-13-16(2)14-11-8-6-5-7-9-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: AOKNWGQMRWJWFS-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179962
abbrev: FA 17:0

12-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-4-13-16(2)14-11-9-7-5-6-8-10-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: JKCYVUZEGXBWNK-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179977
abbrev: FA 17:0

13-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-13-16(2)14-11-9-7-5-4-6-8-10-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: MOGBQEZRHQNBST-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179976
abbrev: FA 17:0

3-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: QGVJAWWHMRGCSA-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179978
abbrev: FA 17:0

4-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: FWZFPYVAIYYOGZ-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_169413
abbrev: FA 17:0

5-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-13-16(2)14-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: KISKSKWZPNLKCF-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179979
abbrev: FA 17:0

7-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-10-13-16(2)14-11-9-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: UQHCSAXPQPCWOO-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179973
abbrev: FA 17:0

8-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: LAAIFKSODDOQCB-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179975
abbrev: FA 17:0

9-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-4-5-7-10-13-16(2)14-11-8-6-9-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: VVJMIVOFWQEQCH-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179974
abbrev: FA 17:0

7-methyl-6E-hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-3-4-5-6-7-8-10-13-16(2)14-11-9-12-15-17(18)19/h14H,3-13,15H2,1-2H3,(H,18,19)/b16-14+
inchikey: DINXWFVSXJCVPK-JQIJEIRASA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196118
abbrev: FA 17:1

14-methyl-8E-hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h4,6,16H,3,5,7-15H2,1-2H3,(H,18,19)/b6-4+
inchikey: DIOQBMNVXMZLDE-GQCTYLIASA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165355
abbrev: FA 17:1

15-methyl-heptadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
inchikey: MAFSBQRWNXDTRK-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196220
abbrev: FA 18:0

2-methyl-16-heptadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20/h3,17H,1,4-16H2,2H3,(H,19,20)
inchikey: FPNOYKBGQRIKKZ-UHFFFAOYSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188159
abbrev: FA 18:1

16-methyl-6Z,9Z-heptadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5-6,8,17H,4,7,9-16H2,1-2H3,(H,19,20)/b5-3-,8-6-
inchikey: YUHICVAXAPACQN-NIOMPZRHSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196565
abbrev: FA 18:2

16-methyl-9Z,12Z-heptadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,17H,4,6-8,10,12-16H2,1-2H3,(H,19,20)/b5-3-,11-9-
inchikey: KKJAXBPWKAUMLB-IVCPHRBRSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196564
abbrev: FA 18:2

16-methyl-6Z,9Z,12Z-heptadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5-6,8-9,11,17H,4,7,10,12-16H2,1-2H3,(H,19,20)/b5-3-,8-6-,11-9-
inchikey: KGQONBKICZUGHP-LJFLDRDWSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180190
abbrev: FA 18:3

11-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-5-9-12-15-18(2)16-13-10-7-6-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: XBRZUTLRIVYERP-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179626
abbrev: FA 19:0

12-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: MEBDGIUGSQZVMA-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_85058
abbrev: FA 19:0

13-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-12-15-18(2)16-13-10-8-6-5-7-9-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: JBAOSEFFCDRERL-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179628
abbrev: FA 19:0

14-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-15-18(2)16-13-11-9-7-5-6-8-10-12-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: GPKDRERYNCVANL-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179627
abbrev: FA 19:0

3-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: VBVVLSXIGCWRIN-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165364
abbrev: FA 19:0

4-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)16-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: RFKPYBOOPHCXSY-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179624
abbrev: FA 19:0

5-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)16-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: GDTPUEHGUWCYRY-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_168887
abbrev: FA 19:0

7-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-12-15-18(2)16-13-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: NGRRTYDNNOBDQT-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179625
abbrev: FA 19:0

8-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-12-15-18(2)16-13-10-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: DSIUZBLIPJBAMZ-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179630
abbrev: FA 19:0

9-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-5-6-7-9-12-15-18(2)16-13-10-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: FUDUTAVRRCALAT-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179629
abbrev: FA 19:0

17-methyl-nonadecanoic acid
type: Class
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-3-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
inchikey: VLJCQMPCVZKWIE-UHFFFAOYSA-N
monoisotopicmass: 3.12302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179721
abbrev: FA 20:0

18-methyl-8Z,11Z,14Z-nonadecatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h4-7,11,13,19H,3,8-10,12,14-18H2,1-2H3,(H,21,22)/b6-4-,7-5-,13-11-
inchikey: RKNDDVGTINXHOO-FSBKEEGASA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

18-methyl-5Z,8Z,11Z,14Z-nonadecatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h4-7,10-13,19H,3,8-9,14-18H2,1-2H3,(H,21,22)/b6-4-,7-5-,12-10-,13-11-
inchikey: RYZDSXURMZIIOO-XBOCNYGYSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

19-methyl-eicosanoic acid
type: Class
formula: C21H42O2
inchi: InChI=1S/C21H42O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
inchikey: BDGYZTCVQAZQFG-UHFFFAOYSA-N
monoisotopicmass: 3.26318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 21:0

19-methyl-5E,9E-eicosadienoic acid
type: Class
formula: C21H38O2
inchi: InChI=1S/C21H38O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h3,5,11,13,20H,4,6-10,12,14-19H2,1-2H3,(H,22,23)/b5-3+,13-11+
inchikey: UZWGJGWPRAVRBC-SDGZKQAHSA-N
monoisotopicmass: 3.22287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:2

18-methyl-5Z,9Z-eicosadienoic acid
type: Class
formula: C21H38O2
inchi: InChI=1S/C21H38O2/c1-3-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21(22)23/h4-5,11,13,20H,3,6-10,12,14-19H2,1-2H3,(H,22,23)/b5-4-,13-11-
inchikey: ZCRBEWRYMZXYQH-AMGMABBJSA-N
monoisotopicmass: 3.22287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:2

19-methyl-5Z,9Z-eicosadienoic acid
type: Class
formula: C21H38O2
inchi: InChI=1S/C21H38O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h3,5,11,13,20H,4,6-10,12,14-19H2,1-2H3,(H,22,23)/b5-3-,13-11-
inchikey: UZWGJGWPRAVRBC-LRIZWFDKSA-N
monoisotopicmass: 3.22287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:2

19-methyl-heneicosanoic acid
type: Class
formula: C22H44O2
inchi: InChI=1S/C22H44O2/c1-3-21(2)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(23)24/h21H,3-20H2,1-2H3,(H,23,24)
inchikey: CDGJKEUOLAMVSS-UHFFFAOYSA-N
monoisotopicmass: 3.40334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196307
abbrev: FA 22:0

3-methyl-heneicosanoic acid
type: Class
formula: C22H44O2
inchi: InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22(23)24/h21H,3-20H2,1-2H3,(H,23,24)
inchikey: XWZDKRSAHZJFFY-UHFFFAOYSA-N
monoisotopicmass: 3.40334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196306
abbrev: FA 22:0

2,4-dimethyl-docosanoic acid
type: Class
formula: C24H48O2
inchi: InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)21-23(3)24(25)26/h22-23H,4-21H2,1-3H3,(H,25,26)
inchikey: QYNTVLCDAYKUMH-UHFFFAOYSA-N
monoisotopicmass: 3.68365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180079
abbrev: FA 24:0

21-methyl-docosanoic acid
type: Class
formula: C23H46O2
inchi: InChI=1S/C23H46O2/c1-22(2)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23(24)25/h22H,3-21H2,1-2H3,(H,24,25)
inchikey: BQKXBLINRIKSGC-UHFFFAOYSA-N
monoisotopicmass: 3.54349781E2
label: Isotricosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 23:0

3,15-dimethyl-docosanoic acid
type: Class
formula: C24H48O2
inchi: InChI=1S/C24H48O2/c1-4-5-6-12-15-18-22(2)19-16-13-10-8-7-9-11-14-17-20-23(3)21-24(25)26/h22-23H,4-21H2,1-3H3,(H,25,26)
inchikey: OIQLVWBPMHLONE-UHFFFAOYSA-N
monoisotopicmass: 3.68365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180080
abbrev: FA 24:0

21-methyl-tricosanoic acid
type: Class
formula: C24H48O2
inchi: InChI=1S/C24H48O2/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)
inchikey: ZFMBTKXCQZOFGH-UHFFFAOYSA-N
monoisotopicmass: 3.68365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180081
abbrev: FA 24:0

23-methyl-5Z,9Z-tetracosadienoic acid
type: Class
formula: C25H46O2
inchi: InChI=1S/C25H46O2/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(26)27/h7,9,15,17,24H,3-6,8,10-14,16,18-23H2,1-2H3,(H,26,27)/b9-7-,17-15-
inchikey: IFDKMNCNGRJPIB-UNNWTIKVSA-N
monoisotopicmass: 3.78349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188023
abbrev: FA 25:2

9,10-dimethyl-octacosanoic acid
type: Class
formula: C30H60O2
inchi: InChI=1S/C30H60O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28(2)29(3)26-23-20-18-21-24-27-30(31)32/h28-29H,4-27H2,1-3H3,(H,31,32)
inchikey: VUKQWNTVHBAURS-UHFFFAOYSA-N
monoisotopicmass: 4.52459331E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 30:0

6-methyl-heptanoic acid
type: Class
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
inchikey: OEOIWYCWCDBOPA-UHFFFAOYSA-N
monoisotopicmass: 1.4411503E2
label: Isocaprylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179945
abbrev: FA 8:0

3-methyl-octanoic acid
type: Class
formula: C9H18O2
inchi: InChI=1S/C9H18O2/c1-3-4-5-6-8(2)7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
inchikey: YKSWLQPMYFCNBG-UHFFFAOYSA-N
monoisotopicmass: 1.5813068E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179891
abbrev: FA 9:0

4-methyl-octanoic acid
type: Class
formula: C9H18O2
inchi: InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
inchikey: LEGGANXCVQPIAI-UHFFFAOYSA-N
monoisotopicmass: 1.5813068E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179879
abbrev: FA 9:0

5-methyl-octanoic acid
type: Class
formula: C9H18O2
inchi: InChI=1S/C9H18O2/c1-3-5-8(2)6-4-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
inchikey: GTKYBNNWJGLBNE-UHFFFAOYSA-N
monoisotopicmass: 1.5813068E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179892
abbrev: FA 9:0

7-methyl-nonanoic acid
type: Class
formula: C10H20O2
inchi: InChI=1S/C10H20O2/c1-3-9(2)7-5-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
inchikey: TUIJQPRMECGEKA-UHFFFAOYSA-N
monoisotopicmass: 1.7214633E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179563
abbrev: FA 10:0

8-methyl-nonanoic acid
type: Class
formula: C10H20O2
inchi: InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
inchikey: OAOABCKPVCUNKO-UHFFFAOYSA-N
monoisotopicmass: 1.7214633E2
label: Isocapric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_176811
abbrev: FA 10:0

3,7,11-trimethyl-dodecanoic acid
type: Class
formula: C15H30O2
inchi: InChI=1S/C15H30O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h12-14H,5-11H2,1-4H3,(H,16,17)
inchikey: XXCXRVNSUQAYMM-UHFFFAOYSA-N
monoisotopicmass: 2.42224581E2
label: Farnesylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196024
abbrev: FA 15:0

4,8,12-trimethyl-tridecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1-4H3,(H,17,18)
inchikey: FUYCAQNCWDAOLQ-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_58966
abbrev: FA 16:0

7,7-dimethyl-5Z,8Z-eicosadienoic acid
type: Class
formula: C22H40O2
inchi: InChI=1S/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h16-17,19-20H,4-15,18H2,1-3H3,(H,23,24)/b19-16-,20-17-
inchikey: AGKRHAILCPYNFH-DUQSFWPASA-N
monoisotopicmass: 3.36302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_182994
abbrev: FA 22:2

7,7-dimethyl-5Z,8Z,11Z-eicosatrienoic acid
type: Class
formula: C22H38O2
inchi: InChI=1S/C22H38O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h11-12,16-17,19-20H,4-10,13-15,18H2,1-3H3,(H,23,24)/b12-11-,19-16-,20-17-
inchikey: RGQNMNYABSHTAV-WLNGKNCPSA-N
monoisotopicmass: 3.34287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:3

10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid
type: Class
formula: C22H38O2
inchi: InChI=1S/C22H38O2/c1-4-5-6-7-8-10-13-16-19-22(2,3)20-17-14-11-9-12-15-18-21(23)24/h9,11,16-17,19-20H,4-8,10,12-15,18H2,1-3H3,(H,23,24)/b11-9-,19-16-,20-17-
inchikey: LLCQZWJYJNOTQP-DASAETRHSA-N
monoisotopicmass: 3.34287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:3

2,4-dimethyl-2-pentacosenoic acid
type: Class
formula: C27H52O2
inchikey: BXPRTTBUCAXWGA-SHHOIMCASA-N
monoisotopicmass: 4.08396731E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 27:1

5R-methyl-decanoic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-3-4-5-7-10(2)8-6-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1
inchikey: BDUUYZWYAVGTOK-SNVBAGLBSA-N
monoisotopicmass: 1.8616198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179400
abbrev: FA 11:0

2R-methyl-dodecanoic acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h12H,3-11H2,1-2H3,(H,14,15)/t12-/m1/s1
inchikey: ONEKODVPFBOORO-GFCCVEGCSA-N
monoisotopicmass: 2.1419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180118
abbrev: FA 13:0

10-methylene-octadecanoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h2-17H2,1H3,(H,20,21)
inchikey: WLVDYCRJAOTRPO-UHFFFAOYSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196582
abbrev: FA 19:1

2-methyl-2-hexacosenoic acid
type: Class
formula: C27H52O2
inchikey: NCBYNTHKMJPLDB-OCEACIFDSA-N
monoisotopicmass: 4.08396731E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 27:1

4R-methyl-hexadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/t16-/m1/s1
inchikey: FWZFPYVAIYYOGZ-MRXNPFEDSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179980
abbrev: FA 17:0

10-methyl-9-hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-3-4-5-10-13-16(2)14-11-8-6-7-9-12-15-17(18)19/h14H,3-13,15H2,1-2H3,(H,18,19)/b16-14+
inchikey: KDTBTCXLWGQPNR-JQIJEIRASA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196119
abbrev: FA 17:1

14R-methyl-8Z-hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h4,6,16H,3,5,7-15H2,1-2H3,(H,18,19)/b6-4-/t16-/m1/s1
inchikey: DIOQBMNVXMZLDE-DQOPKJQZSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196121
abbrev: FA 17:1

14S-methyl-8Z-hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h4,6,16H,3,5,7-15H2,1-2H3,(H,18,19)/b6-4-/t16-/m0/s1
inchikey: DIOQBMNVXMZLDE-LEXSJLIMSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196120
abbrev: FA 17:1

6S-methyl-octanoic acid
type: Class
formula: C9H18O2
inchi: InChI=1S/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1
inchikey: GPOPHQSTNHUENT-QMMMGPOBSA-N
monoisotopicmass: 1.5813068E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179893
abbrev: FA 9:0

2,4,6,8-tetramethyl-decanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-6-10(2)7-11(3)8-12(4)9-13(5)14(15)16/h10-13H,6-9H2,1-5H3,(H,15,16)
inchikey: PXMIDIKFWCXFNC-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179794
abbrev: FA 14:0

2,4,6,8-tetramethyl-tetratriacontanoic acid
type: Class
formula: C38H76O2
inchikey: CROAPHWLZZGVPY-UHFFFAOYSA-N
monoisotopicmass: 5.64584531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 38:0

3-methyl-2-oxo-butanoic acid
type: Class
formula: C5H8O3
inchi: InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)
inchikey: QHKABHOOEWYVLI-UHFFFAOYSA-N
monoisotopicmass: 1.16047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_16530
abbrev: FA 5:1;O

3S-methyl-2-oxo-pentanoic acid
type: Class
formula: C6H10O3
inchi: InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
inchikey: JVQYSWDUAOAHFM-BYPYZUCNSA-N
monoisotopicmass: 1.30062995E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_15614
abbrev: FA 6:1;O

3-oxo-4-methyl-pentanoic acid
type: Class
formula: C6H10O3
inchi: InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
inchikey: ZXLSKTZECNUVIS-UHFFFAOYSA-N
monoisotopicmass: 1.30062995E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_29024
abbrev: FA 6:1;O

3-hydroxy-3-methyl-2-oxo-butanoic acid
type: Class
formula: C5H8O4
inchi: InChI=1S/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8)
inchikey: DNOPJXBPONYBLB-UHFFFAOYSA-N
monoisotopicmass: 1.3204226E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_17667
abbrev: FA 5:1;O2

3-hydroxy-3-methyl-2-oxo-pentanoic acid
type: Class
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)
inchikey: YJVOWRAWFXRESP-UHFFFAOYSA-N
monoisotopicmass: 1.4605791E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_28710
abbrev: FA 6:1;O2

10,11-epoxy-3,7,11-trimethyl-2E,6E-tridecadienoic acid
type: Class
formula: C16H26O3
inchi: InChI=1S/C16H26O3/c1-5-16(4)14(19-16)10-9-12(2)7-6-8-13(3)11-15(17)18/h7,11,14H,5-6,8-10H2,1-4H3,(H,17,18)/b12-7+,13-11+/t14-,16-/m1/s1
inchikey: CZRJNVJQSPMQTQ-DABJYTMYSA-N
monoisotopicmass: 2.66188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
equivalent class: CHEBI_188206
abbrev: FA 16:3;O

2oxo-3R-methyl-pentanoic acid
type: Class
formula: C6H10O3
inchi: InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
inchikey: JVQYSWDUAOAHFM-SCSAIBSYSA-N
monoisotopicmass: 1.30062995E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_28379
abbrev: FA 6:1;O

9,14-dimethylpentadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-15(2)11-9-10-13-16(3)12-7-5-4-6-8-14-17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)
inchikey: HOTWXTNEUCIUPL-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179981
abbrev: FA 17:0

3R-Methylheptanoic acid
type: Class
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-3-4-5-7(2)6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1
inchikey: DVESMWJFKVAFSP-SSDOTTSWSA-N
monoisotopicmass: 1.4411503E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179959
abbrev: FA 8:0

2,6,10-trimethyl-undecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(15)16/h11-13H,5-10H2,1-4H3,(H,15,16)
inchikey: QFIWFUDXERFOIY-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179778
abbrev: FA 14:0

4,8-dimethyl-nonanoic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)
inchikey: VZPIUNDOWLDCTC-UHFFFAOYSA-N
monoisotopicmass: 1.8616198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_63864
abbrev: FA 11:0

13,13-dimethyl-tetradecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-16(2,3)14-12-10-8-6-4-5-7-9-11-13-15(17)18/h4-14H2,1-3H3,(H,17,18)
inchikey: WPAIKZNPOIBQQC-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
label: Neopalmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179745
abbrev: FA 16:0

7,9,13,17-tetramethyl-7S,14S-dihydroxy-2E,4E,8E,10E,12E,16-octadecahexaenoic acid
type: Class
formula: C22H32O4
inchi: InChI=1S/C22H32O4/c1-17(2)13-14-20(23)19(4)11-9-10-18(3)16-22(5,26)15-8-6-7-12-21(24)25/h6-13,16,20,23,26H,14-15H2,1-5H3,(H,24,25)/b8-6+,10-9+,12-7+,18-16+,19-11+/t20-,22-/m0/s1
inchikey: AJIPQLGQGAHQQV-CGIKTRLWSA-N
monoisotopicmass: 3.60230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 22:6;O2

2-propylpentanoic acid
type: Class
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
inchikey: NIJJYAXOARWZEE-UHFFFAOYSA-N
monoisotopicmass: 1.4411503E2
label: Valproic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_39867
abbrev: FA 8:0

14-Methylheptadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-3-14-17(2)15-12-10-8-6-4-5-7-9-11-13-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
inchikey: FSFWPQJOSZVBMA-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196222
abbrev: FA 18:0

2S,4S-dimethyl-docosanoic acid
type: Class
formula: C24H48O2
inchi: InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)21-23(3)24(25)26/h22-23H,4-21H2,1-3H3,(H,25,26)/t22-,23-/m0/s1
inchikey: QYNTVLCDAYKUMH-GOTSBHOMSA-N
monoisotopicmass: 3.68365431E2
label: Mycosanoic acid (C24)
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180082
abbrev: FA 24:0

2S,4S-dimethyl-tricosanoic acid
type: Class
formula: C25H50O2
inchikey: ZLKBEACXHMFBSH-ZEQRLZLVSA-N
monoisotopicmass: 3.82381081E2
label: Mycosanoic acid (C25)
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_187155
abbrev: FA 25:0

2S,4S-dimethyl-tetracosanoic acid
type: Class
formula: C26H52O2
inchikey: ZGKCSVQTKVOXKZ-DQEYMECFSA-N
monoisotopicmass: 3.96396731E2
label: Mycosanoic acid (C26)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 26:0

2S,4S,6S,8S,10S-pentamethyl-hexacosanoic acid
type: Class
formula: C31H62O2
inchi: InChI=1S/C31H62O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(2)22-27(3)23-28(4)24-29(5)25-30(6)31(32)33/h26-30H,7-25H2,1-6H3,(H,32,33)/t26-,27-,28-,29-,30-/m0/s1
inchikey: ASUHCLFFKJVAJH-IIZANFQQSA-N
monoisotopicmass: 4.66474981E2
label: Phthioceranic acid (C31)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 31:0

2S,4S,6S,8S,10S-pentamethyl-octacosanoic acid
type: Class
formula: C33H66O2
inchikey: KCPUANXJIFJRIA-XDIGFQIYSA-N
monoisotopicmass: 4.94506281E2
label: Phthioceranic acid (C33)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 33:0

2S,4S,6S,8S,10S,12S-hexamethyl-octacosanoic acid
type: Class
formula: C34H68O2
inchi: InChI=1S/C34H68O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(2)23-29(3)24-30(4)25-31(5)26-32(6)27-33(7)34(35)36/h28-33H,8-27H2,1-7H3,(H,35,36)/t28-,29-,30-,31-,32-,33-/m0/s1
inchikey: XRJAKLNQHAZXDG-FSJACQRISA-N
monoisotopicmass: 5.08521931E2
label: Phthioceranic acid (C34)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 34:0

2S,4S,6S,8S,10S,12S-hexamethyl-triacontanoic acid
type: Class
formula: C36H72O2
inchikey: RVWBQFVQWPXUIK-LBBUGJAGSA-N
monoisotopicmass: 5.36553231E2
label: Phthioceranic acid (C36)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 36:0

2S,4S,6S,8S,10S,12S,14S-heptamethyl-triacontanoic acid
type: Class
formula: C37H74O2
inchi: InChI=1S/C37H74O2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30(2)24-31(3)25-32(4)26-33(5)27-34(6)28-35(7)29-36(8)37(38)39/h30-36H,9-29H2,1-8H3,(H,38,39)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
inchikey: UAJVWJCTKBKSGZ-QJCLFNHPSA-N
monoisotopicmass: 5.50568881E2
label: Phthioceranic acid (C37)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 37:0

2S,4S,6S,8S,10S,12S,14S-heptamethyl-dotriacontanoic acid
type: Class
formula: C39H78O2
inchikey: XWYOJSCUMATACI-CXWHUAPYSA-N
monoisotopicmass: 5.78600181E2
label: Phthioceranic acid (C39)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 39:0

2S,4S,6S,8S,10S,12S,14S,16S-octamethyl-dotriacontanoic acid
type: Class
formula: C40H80O2
inchikey: MUYDCSADWYJZFO-FDISYFBBSA-N
monoisotopicmass: 5.92615831E2
label: Phthioceranic acid (C40)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 40:0

2S,4S,6S,8S,10S,12S,14S,16S-octamethyl-tetratriacontanoic acid
type: Class
formula: C42H84O2
inchikey: BPPKROVQKJFNRO-PVEGFDORSA-N
monoisotopicmass: 6.20647131E2
label: Phthioceranic acid (C42)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 42:0

2S,4S,6S,8S,10S,12S,14S,16S,18S-nonamethyl-tetratriacontanoic acid
type: Class
formula: C43H86O2
inchikey: VLMCBZNGKAAYTN-UTALAWHWSA-N
monoisotopicmass: 6.34662781E2
label: Phthioceranic acid (C43)
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_165372
abbrev: FA 43:0

2S,4S,6S,8S,10S,12S,14S,16S,18S-nonamethyl-hexatriacontanoic acid
type: Class
formula: C45H90O2
inchikey: QDFBTZBDYCGVMQ-FSLKYBNLSA-N
monoisotopicmass: 6.62694082E2
label: Phthioceranic acid (C45)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 45:0

2S,4S,6S,8S,10S,12S,14S,16S,18S,20S-decamethyl-hexatriacontanoic acid
type: Class
formula: C46H92O2
inchikey: VLERGSQOAWHHAQ-BQBSFLCNSA-N
monoisotopicmass: 6.76709732E2
label: Phthioceranic acid (C46)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 46:0

2S,4S,6S,8S,10S,12S,14S,16S,18S,20S-decamethyl-octatriacontanoic acid
type: Class
formula: C48H96O2
inchikey: WRBDMLRPQNZLIN-CIRMSXBNSA-N
monoisotopicmass: 7.04741032E2
label: Phthioceranic acid (C48)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 48:0

2R,4R-dimethyl-docosanoic acid
type: Class
formula: C24H48O2
inchi: InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)21-23(3)24(25)26/h22-23H,4-21H2,1-3H3,(H,25,26)/t22-,23-/m1/s1
inchikey: QYNTVLCDAYKUMH-DHIUTWEWSA-N
monoisotopicmass: 3.68365431E2
label: Mycocerosic acid (C24)
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180078
abbrev: FA 24:0

2R,4R-dimethyl-tricosanoic acid
type: Class
formula: C25H50O2
inchikey: ZLKBEACXHMFBSH-DNQXCXABSA-N
monoisotopicmass: 3.82381081E2
label: Mycocerosic acid (C25)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 25:0

2R,4R-dimethyl-tetracosanoic acid
type: Class
formula: C26H52O2
inchikey: ZGKCSVQTKVOXKZ-JWQCQUIFSA-N
monoisotopicmass: 3.96396731E2
label: Mycocerosic acid (C26)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 26:0

2R,4R,6R-trimethyl-tetracosanoic acid
type: Class
formula: C27H54O2
inchi: InChI=1S/C27H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-25(3)23-26(4)27(28)29/h24-26H,5-23H2,1-4H3,(H,28,29)/t24-,25-,26-/m1/s1
inchikey: CHPNWWIYWJBRKU-TWJOJJKGSA-N
monoisotopicmass: 4.10412381E2
label: Mycocerosic acid (C27)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 27:0

2R,4R,6R-trimethyl-pentacosanoic acid
type: Class
formula: C28H56O2
inchikey: VCGIFKSJVXPLHC-ZONZVBGPSA-N
monoisotopicmass: 4.24428031E2
label: Mycocerosic acid (C28)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 28:0

2R,4R,6R-trimethyl-hexacosanoic acid
type: Class
formula: C29H58O2
inchikey: SZBIWBPFMWQSAU-JCYYIGJDSA-N
monoisotopicmass: 4.38443681E2
label: Mycocerosic acid (C29)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 29:0

2R,4R,6R,8R-tetramethyl-hexacosanoic acid
type: Class
formula: C30H60O2
inchikey: WHWKFYHCPWFJGC-CXDXLJMYSA-N
monoisotopicmass: 4.52459331E2
label: Mycocerosic acid (C30)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 30:0

2R,4R,6R,8R-tetramethyl-heptacosanoic acid
type: Class
formula: C31H62O2
inchikey: NCKFYGNGTMJSQV-SKKKGAJSSA-N
monoisotopicmass: 4.66474981E2
label: Mycocerosic acid (C31)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 31:0

2R,4R,6R,8R-tetramethyl-octacosanoic acid
type: Class
formula: C32H64O2
inchikey: QFTGBKLLECAONU-OMRVPHBLSA-N
monoisotopicmass: 4.80490631E2
label: Mycocerosic acid (C32)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 32:0

2R,4R,6R,8R,10R-pentamethyl-octacosanoic acid
type: Class
formula: C33H66O2
inchikey: KCPUANXJIFJRIA-NYDDOVQGSA-N
monoisotopicmass: 4.94506281E2
label: Mycocerosic acid (C33)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 33:0

2R,4R,6R,8R,10R-pentamethyl-nonacosanoic acid
type: Class
formula: C34H68O2
inchikey: RDNOSTMKBODDAF-YKNMHBIISA-N
monoisotopicmass: 5.08521931E2
label: Mycocerosic acid (C34)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 34:0

2R,4R,6R,8R,10R-pentamethyl-triacontanoic acid
type: Class
formula: C35H70O2
inchikey: DVHURGBDBBFPDF-SLXQPGMDSA-N
monoisotopicmass: 5.22537581E2
label: Mycocerosic acid (C35)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 35:0

2S,4S,6S,8R,10R-pentamethyl-11-hydroxy-hexacosanoic acid
type: Class
formula: C31H62O3
inchi: InChI=1S/C31H62O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(32)28(5)23-26(3)21-25(2)22-27(4)24-29(6)31(33)34/h25-30,32H,7-24H2,1-6H3,(H,33,34)/t25-,26+,27-,28+,29-,30?/m0/s1
inchikey: KHWFGBFGHTZBAM-VAVFGSDCSA-N
monoisotopicmass: 4.82469896E2
label: Hydroxyphthioceranic acid (C31)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 31:0;O

2S,4S,6S,8R,10R-pentamethyl-11-hydroxy-octacosanoic acid
type: Class
formula: C33H66O3
inchi: InChI=1S/C33H66O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32(34)30(5)25-28(3)23-27(2)24-29(4)26-31(6)33(35)36/h27-32,34H,7-26H2,1-6H3,(H,35,36)/t27-,28+,29-,30+,31-,32?/m0/s1
inchikey: QRMAELCSTFPFKM-CZRCJVRHSA-N
monoisotopicmass: 5.10501196E2
label: Hydroxyphthioceranic acid (C33)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 33:0;O

2S,4S,6S,8R,10R,12R-hexamethyl-13-hydroxy-octacosanoic acid
type: Class
formula: C34H68O3
inchi: InChI=1S/C34H68O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-33(35)31(6)25-29(4)23-27(2)22-28(3)24-30(5)26-32(7)34(36)37/h27-33,35H,8-26H2,1-7H3,(H,36,37)/t27-,28+,29-,30+,31-,32+,33?/m1/s1
inchikey: BPXYHUGHFGVBEX-KJIGDZGKSA-N
monoisotopicmass: 5.24516846E2
label: Hydroxyphthioceranic acid (C34)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 34:0;O

2S,4S,6S,8R,10R,12R-hexamethyl-13-hydroxy-triacontanoic acid
type: Class
formula: C36H72O3
inchikey: NDRIDVVUONQZFK-NNKVMSPMSA-N
monoisotopicmass: 5.52548146E2
label: Hydroxyphthioceranic acid (C36)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 36:0;O

2S,4S,6S,8S,10R,12R,14R-heptamethyl-15-hydroxy-triacontanoic acid
type: Class
formula: C37H74O3
inchi: InChI=1S/C37H74O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-36(38)34(7)27-32(5)25-30(3)23-29(2)24-31(4)26-33(6)28-35(8)37(39)40/h29-36,38H,9-28H2,1-8H3,(H,39,40)/t29-,30+,31-,32+,33-,34+,35-,36?/m0/s1
inchikey: SPDPRVWYMSZLCQ-FJJIAIDXSA-N
monoisotopicmass: 5.66563796E2
label: Hydroxyphthioceranic acid (C37)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 37:0;O

2S,4S,6S,8S,10R,12R,14R-heptamethyl-15-hydroxy-dotriacontanoic acid
type: Class
formula: C39H78O3
inchikey: HOYTWSOCNYOMBI-VFUKHKGOSA-N
monoisotopicmass: 5.94595096E2
label: Hydroxyphthioceranic acid (C39)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 39:0;O

2S,4S,6S,8S,10R,12R,14R,16R-octamethyl-17-hydroxy-dotriacontanoic acid
type: Class
formula: C40H80O3
inchi: InChI=1S/C40H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(41)37(8)29-35(6)27-33(4)25-31(2)24-32(3)26-34(5)28-36(7)30-38(9)40(42)43/h31-39,41H,10-30H2,1-9H3,(H,42,43)/t31-,32+,33-,34+,35-,36+,37-,38+,39?/m1/s1
inchikey: HCTBUGXAFRDFOG-WVPQRUSMSA-N
monoisotopicmass: 6.08610746E2
label: Hydroxyphthioceranic acid (C40)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 40:0;O

2S,4S,6S,8S,10R,12R,14R,16R-octamethyl-17-hydroxy-tetratriacontanoic acid
type: Class
formula: C42H84O3
inchikey: GWVUUZNLKZUAHT-FRUGHQICSA-N
monoisotopicmass: 6.36642046E2
label: Hydroxyphthioceranic acid (C42)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_186573
abbrev: FA 42:0;O

2S,4S,6S,8S,10S,12R,14R,16R,18R-nonamethyl-19-hydroxy-tetratriacontanoic acid
type: Class
formula: C43H86O3
inchi: InChI=1S/C43H86O3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-42(44)40(9)31-38(7)29-36(5)27-34(3)25-33(2)26-35(4)28-37(6)30-39(8)32-41(10)43(45)46/h33-42,44H,11-32H2,1-10H3,(H,45,46)/t33-,34+,35-,36+,37-,38+,39-,40+,41-,42?/m0/s1
inchikey: NYMIFRPWENNRQJ-ZRSUEXAPSA-N
monoisotopicmass: 6.50657696E2
label: Hydroxyphthioceranic acid (C43)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_186579
abbrev: FA 43:0;O

2S,4S,6S,8S,10S,12R,14R,16R,18R-nonamethyl-19-hydroxy-hexatriacontanoic acid
type: Class
formula: C45H90O3
inchikey: LKNZMIXYFQJEFL-FGNPDILZSA-N
monoisotopicmass: 6.78688997E2
label: Hydroxyphthioceranic acid (C45)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_169913
abbrev: FA 45:0;O

2S,4S,6S,8S,10S,12R,14R,16R,18R,20R-decamethyl-21-hydroxy-hexatriacontanoic acid
type: Class
formula: C46H92O3
inchi: InChI=1S/C46H92O3/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-45(47)43(10)33-41(8)31-39(6)29-37(4)27-35(2)26-36(3)28-38(5)30-40(7)32-42(9)34-44(11)46(48)49/h35-45,47H,12-34H2,1-11H3,(H,48,49)/t35-,36+,37-,38+,39-,40+,41-,42+,43-,44+,45?/m1/s1
inchikey: XYVVWSWWRSNJIP-UGGIOUEQSA-N
monoisotopicmass: 6.92704647E2
label: Hydroxyphthioceranic acid (C46)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 46:0;O

2S,4S,6S,8S,10S,12R,14R,16R,18R,20R-decamethyl-21-hydroxy-octatriacontanoic acid
type: Class
formula: C48H96O3
inchikey: SYTCNQBIONDYGJ-NWWXYQFJSA-N
monoisotopicmass: 7.20735947E2
label: Hydroxyphthioceranic acid (C48)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187854
abbrev: FA 48:0;O

2R,4S,6S-trimethyl-3R-hydroxy-heneicosanoic acid
type: Class
formula: C24H48O3
inchi: InChI=1S/C24H48O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(2)19-21(3)23(25)22(4)24(26)27/h20-23,25H,5-19H2,1-4H3,(H,26,27)/t20-,21-,22+,23+/m0/s1
inchikey: ZBLKLSFDPKPPQY-MYDTUXCISA-N
monoisotopicmass: 3.84360346E2
label: Mycolipanolic acid (C24)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_139485
abbrev: FA 24:0;O

2R,4S,6S-trimethyl-3R-hydroxy-tricosanoic acid
type: Class
formula: C26H52O3
inchi: InChI=1S/C26H52O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)21-23(3)25(27)24(4)26(28)29/h22-25,27H,5-21H2,1-4H3,(H,28,29)/t22-,23-,24+,25+/m0/s1
inchikey: ZIJNQYNXSXJLDW-CXSMSNRLSA-N
monoisotopicmass: 4.12391646E2
label: Mycolipanolic acid (C26)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 26:0;O

2R,4S,6S-trimethyl-3R-hydroxy-tetracosanoic acid
type: Class
formula: C27H54O3
inchi: InChI=1S/C27H54O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(2)22-24(3)26(28)25(4)27(29)30/h23-26,28H,5-22H2,1-4H3,(H,29,30)/t23-,24-,25+,26+/m0/s1
inchikey: VTRDVUCVCDPGAI-QEGGNFSNSA-N
monoisotopicmass: 4.26407296E2
label: Mycolipanolic acid (C27)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_139484
abbrev: FA 27:0;O

2R,4S,6S-trimethyl-3R-hydroxy-pentacosanoic acid
type: Class
formula: C28H56O3
inchikey: NUZIOOXMVHJIKP-GWMMUDDPSA-N
monoisotopicmass: 4.40422946E2
label: Mycolipanolic acid (C28)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 28:0;O

2,4S,6S-trimethyl-2E-docosenoic acid
type: Class
formula: C25H48O2
inchi: InChI=1S/C25H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-23(3)21-24(4)25(26)27/h21-23H,5-20H2,1-4H3,(H,26,27)/b24-21+/t22-,23-/m0/s1
inchikey: FHYFYGGFILKFMB-RVTQGIHGSA-N
monoisotopicmass: 3.80365431E2
label: Mycolipenic acid (C25)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 25:1

2,4S,6S-trimethyl-2E-tetracosenoic acid
type: Class
formula: C27H52O2
inchi: InChI=1S/C27H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-25(3)23-26(4)27(28)29/h23-25H,5-22H2,1-4H3,(H,28,29)/b26-23+/t24-,25-/m0/s1
inchikey: SJZUAPDAKBPNQS-JSMKFMQKSA-N
monoisotopicmass: 4.08396731E2
label: Mycolipenic acid (C27)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 27:1

2,4S,6S-trimethyl-2E-pentacosenoic acid
type: Class
formula: C28H54O2
inchikey: IDUASQWTBDNSHW-BGPYFAOKSA-N
monoisotopicmass: 4.22412381E2
label: Mycolipenic acid (C28)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 28:1

2,4S,6S-trimethyl-2E-hexacosenoic acid
type: Class
formula: C29H56O2
inchikey: SFOMVZNYLZGHOX-MSFYPYCISA-N
monoisotopicmass: 4.36428031E2
label: Mycolipenic acid (C29)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 29:1

17-methyl-13Z-octadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h10,12,18H,3-9,11,13-17H2,1-2H3,(H,20,21)/b12-10-
inchikey: VZLBZMQNNQGVMW-BENRWUELSA-N
monoisotopicmass: 2.96271531E2
label: 18:1(13Z)(17Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187758
abbrev: FA 19:1

34S-methyl-5Z,9Z,12Z,15Z,18Z,21Z-hexatriacontahexaenoic acid
type: Class
formula: C37H62O2
inchi: InChI=1S/C37H62O2/c1-3-36(2)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)39/h4,6-7,9-10,12-13,15,19,21,27,29,36H,3,5,8,11,14,16-18,20,22-26,28,30-35H2,1-2H3,(H,38,39)/b6-4-,9-7-,12-10-,15-13-,21-19-,29-27-/t36-/m0/s1
inchikey: WZYYIDLMIGUSFJ-NZRYQGRQSA-N
monoisotopicmass: 5.38474981E2
label: 36:6(5Z,9Z,12Z,15Z,18Z,21Z)(34Me[S])
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 37:6

11-methyl-nonadecanoic acid
type: Class
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-3-4-5-6-10-13-16-19(2)17-14-11-8-7-9-12-15-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
inchikey: QHWDSAMTIZLUAO-UHFFFAOYSA-N
monoisotopicmass: 3.12302831E2
label: 19:0(11Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179722
abbrev: FA 20:0

23-methyl-pentacosanoic acid
type: Class
formula: C26H52O2
inchi: InChI=1S/C26H52O2/c1-3-25(2)23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26(27)28/h25H,3-24H2,1-2H3,(H,27,28)
inchikey: KETXIYUCVSWJBJ-UHFFFAOYSA-N
monoisotopicmass: 3.96396731E2
label: 25:0(23Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 26:0

6,6-dimethyl-hexanoic acid
type: Class
formula: C9H18O2
inchi: InChI=1S/C9H18O2/c1-9(2,3)7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11)
inchikey: AAOISIQFPPAFQO-UHFFFAOYSA-N
monoisotopicmass: 1.5813068E2
label: 7:0(6Me,6Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179894
abbrev: FA 9:0

8,8-dimethyl-nonanoic acid
type: Class
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-11(2,3)9-7-5-4-6-8-10(12)13/h4-9H2,1-3H3,(H,12,13)
inchikey: PCVAKFVNCSPYNN-UHFFFAOYSA-N
monoisotopicmass: 1.8616198E2
label: 9:0(8Me,8Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179401
abbrev: FA 11:0

10,10-dimethyl-undecanoic acid
type: Class
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-13(2,3)11-9-7-5-4-6-8-10-12(14)15/h4-11H2,1-3H3,(H,14,15)
inchikey: VYDBDDDTZMNNMM-UHFFFAOYSA-N
monoisotopicmass: 2.1419328E2
label: 11:0(10Me,10Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_180119
abbrev: FA 13:0

12,12-dimethyl-tridecanoic acid
type: Class
formula: C15H30O2
inchi: InChI=1S/C15H30O2/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14(16)17/h4-13H2,1-3H3,(H,16,17)
inchikey: DBYDKDYPHZLAMZ-UHFFFAOYSA-N
monoisotopicmass: 2.42224581E2
label: 13:0(12Me,12Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196025
abbrev: FA 15:0

18-methyl-tetracosanoic acid
type: Class
formula: C25H50O2
inchi: InChI=1S/C25H50O2/c1-3-4-5-18-21-24(2)22-19-16-14-12-10-8-6-7-9-11-13-15-17-20-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)
inchikey: XCCJSPJWXADLBU-UHFFFAOYSA-N
monoisotopicmass: 3.82381081E2
label: 24:0(18Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 25:0

17-methyl-tetracosanoic acid
type: Class
formula: C25H50O2
inchi: InChI=1S/C25H50O2/c1-3-4-5-15-18-21-24(2)22-19-16-13-11-9-7-6-8-10-12-14-17-20-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)
inchikey: PORBSAQMJVPOAX-UHFFFAOYSA-N
monoisotopicmass: 3.82381081E2
label: 24:0(17Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 25:0

18-methyl-pentacosanoic acid
type: Class
formula: C26H52O2
inchi: InChI=1S/C26H52O2/c1-3-4-5-16-19-22-25(2)23-20-17-14-12-10-8-6-7-9-11-13-15-18-21-24-26(27)28/h25H,3-24H2,1-2H3,(H,27,28)
inchikey: RLGZKEYXAKZQMD-UHFFFAOYSA-N
monoisotopicmass: 3.96396731E2
label: 25:0(18Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 26:0

18-methyl-hexacosanoic acid
type: Class
formula: C26H52O2
inchi: InChI=1S/C26H52O2/c1-3-4-5-6-16-19-22-25(2)23-20-17-14-12-10-8-7-9-11-13-15-18-21-24-26(27)28/h25H,3-24H2,1-2H3,(H,27,28)
inchikey: DCPSZJMCWACXGY-UHFFFAOYSA-N
monoisotopicmass: 3.96396731E2
label: 26:0(18Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 26:0

18,24-Dimethylhexacosanoic acid
type: Class
formula: C26H52O2
inchi: InChI=1S/C26H52O2/c1-4-24(2)20-18-19-22-25(3)21-16-14-12-10-8-6-5-7-9-11-13-15-17-23-26(27)28/h24-25H,4-23H2,1-3H3,(H,27,28)
inchikey: KFALNCXMSKICPQ-UHFFFAOYSA-N
monoisotopicmass: 3.96396731E2
label: 26:0(18Me,24Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 26:0

10,13-dimethyltetradecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-14(2)12-13-15(3)10-8-6-4-5-7-9-11-16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
inchikey: PWLJNEGUWOGTSF-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
label: 14:0(10Me,13Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_149651
abbrev: FA 16:0

12-methyl-eicosanoic acid
type: Class
formula: C21H42O2
inchi: InChI=1S/C21H42O2/c1-3-4-5-6-11-14-17-20(2)18-15-12-9-7-8-10-13-16-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
inchikey: JVVZDRRHSOSMPH-UHFFFAOYSA-N
monoisotopicmass: 3.26318481E2
label: 20:0(12Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 21:0

24-methyl-5Z,9Z-pentacosadienoic acid
type: Class
formula: C26H48O2
inchi: InChI=1S/C26H48O2/c1-25(2)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26(27)28/h8,10,16,18,25H,3-7,9,11-15,17,19-24H2,1-2H3,(H,27,28)/b10-8-,18-16-
inchikey: GCCXBHCBVGHCBF-CVQIAKFNSA-N
monoisotopicmass: 3.92365431E2
label: 25:2(5Z,9Z)(24Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:2

23-methyl-5Z,9Z-pentacosadienoic acid
type: Class
formula: C26H48O2
inchi: InChI=1S/C26H48O2/c1-3-25(2)23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26(27)28/h8,10,16,18,25H,3-7,9,11-15,17,19-24H2,1-2H3,(H,27,28)/b10-8-,18-16-
inchikey: AMUGDUPSOQKGLS-CVQIAKFNSA-N
monoisotopicmass: 3.92365431E2
label: 25:2(5Z,9Z)(23Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:2

25-methyl-5Z,9Z-hexacosadienoic acid
type: Class
formula: C27H50O2
inchi: InChI=1S/C27H50O2/c1-26(2)24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27(28)29/h9,11,17,19,26H,3-8,10,12-16,18,20-25H2,1-2H3,(H,28,29)/b11-9-,19-17-
inchikey: DNEGLXLXJLONIP-CCVDTEMHSA-N
monoisotopicmass: 4.06381081E2
label: 26:2(5Z,9Z)(25Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_169857
abbrev: FA 27:2

24-methyl-5Z,9Z-hexacosadienoic acid
type: Class
formula: C27H50O2
inchi: InChI=1S/C27H50O2/c1-3-26(2)24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27(28)29/h9,11,17,19,26H,3-8,10,12-16,18,20-25H2,1-2H3,(H,28,29)/b11-9-,19-17-
inchikey: LLEYTKLOPIVSOG-CCVDTEMHSA-N
monoisotopicmass: 4.06381081E2
label: 26:2(5Z,9Z)(24Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 27:2

25-methyl-5Z,9Z-heptacosadienoic acid
type: Class
formula: C28H52O2
inchi: InChI=1S/C28H52O2/c1-3-27(2)25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28(29)30/h10,12,18,20,27H,3-9,11,13-17,19,21-26H2,1-2H3,(H,29,30)/b12-10-,20-18-
inchikey: QIAIIBVHTBCSOC-VSEGLXAPSA-N
monoisotopicmass: 4.20396731E2
label: 27:2(5Z,9Z)(25Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 28:2

26-methyl-5Z,9Z-heptacosadienoic acid
type: Class
formula: C28H52O2
inchi: InChI=1S/C28H52O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28(29)30/h10,12,18,20,27H,3-9,11,13-17,19,21-26H2,1-2H3,(H,29,30)/b12-10-,20-18-
inchikey: QNOUWBLGEQAMLS-VSEGLXAPSA-N
monoisotopicmass: 4.20396731E2
label: 27:2(5Z,9Z)(26Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 28:2

27:2(5Z,9Z)
type: Class
formula: C27H50O2
inchikey: QHCUSXRHMXVISV-ZCIBKELESA-N
monoisotopicmass: 4.06381081E2
label: 5Z,9Z-heptacosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186685
abbrev: FA 27:2

28:2(5Z,9Z)
type: Class
formula: C28H52O2
inchikey: SQYBLVIRHDYEKI-HSRFISPZSA-N
monoisotopicmass: 4.20396731E2
label: 5Z,9Z-octacosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 28:2

27-methyl-5Z,9Z-octacosadienoic acid
type: Class
formula: C29H54O2
inchi: InChI=1S/C29H54O2/c1-28(2)26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)31/h11,13,19,21,28H,3-10,12,14-18,20,22-27H2,1-2H3,(H,30,31)/b13-11-,21-19-
inchikey: QRBQVYGYVPJGGV-ZPIUPWHUSA-N
monoisotopicmass: 4.34412381E2
label: 28:2(5Z,9Z)(27Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 29:2

26-methyl-5Z,9Z-octacosadienoic acid
type: Class
formula: C30H56O2
inchi: InChI=1S/C30H56O2/c1-3-29(2)27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30(31)32/h12,14,20,22,29H,3-11,13,15-19,21,23-28H2,1-2H3,(H,31,32)/b14-12-,22-20-
inchikey: IITCZDXPDKTWNG-QWHQDJIMSA-N
monoisotopicmass: 4.48428031E2
label: 29:2(5Z,9Z)(26Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 30:2

16:3(2E,10E,12E)(3Me,5Me[R],7My,15Me)
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-16(2)11-9-7-6-8-10-12-17(3)13-18(4)14-19(5)15-20(21)22/h6-9,15-16,18H,3,10-14H2,1-2,4-5H3,(H,21,22)/b8-6+,9-7+,19-15+/t18-/m1/s1
inchikey: XQIKRXUJLGQAKM-DNIQSHCLSA-N
monoisotopicmass: 3.04240231E2
label: 3,5R,15-trimethyl-7-methylene-2E,10E,12E-hexadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187946
abbrev: FA 20:4

14:4(2E,4E,8E,10E)(6Me[S],9Me,12Me[S])
type: Class
formula: C17H26O2
inchi: InChI=1S/C17H26O2/c1-5-14(2)10-11-16(4)13-12-15(3)8-6-7-9-17(18)19/h6-11,13-15H,5,12H2,1-4H3,(H,18,19)/b8-6+,9-7+,11-10+,16-13+/t14-,15+/m0/s1
inchikey: ZUKTWAFESTXCFD-USSQNJQLSA-N
monoisotopicmass: 2.6219328E2
label: 6S,9,12S-trimethyl-2E,4E,8E,10E-tetradecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:4

16:2(2E,4E)(4Me,6Me[S])
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-4-5-6-7-8-9-10-11-12-16(2)15-17(3)13-14-18(19)20/h13-16H,4-12H2,1-3H3,(H,19,20)/b14-13+,17-15+/t16-/m0/s1
inchikey: JYGBGHZWUDFYIP-UAOWLTOQSA-N
monoisotopicmass: 2.80240231E2
label: 4,6S-dimethyl-2E,4E-hexadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196566
abbrev: FA 18:2

16:4(2E,4E,8E,10E)(7Me[R],9Me,14Me[R])
type: Class
formula: C19H30O2
inchi: InChI=1S/C19H30O2/c1-5-16(2)11-9-10-13-18(4)15-17(3)12-7-6-8-14-19(20)21/h6-8,10,13-17H,5,9,11-12H2,1-4H3,(H,20,21)/b7-6+,13-10+,14-8+,18-15+/t16-,17-/m1/s1
inchikey: AHLLEVZDNYBWMJ-SCSFZPQPSA-N
monoisotopicmass: 2.90224581E2
label: 7R,9,14R-trimethyl-2E,4E,8E,10E-hexadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_193385
abbrev: FA 19:4

15:6(2Z,4E,6Z,8E,12E,14)(6Me,8Me,10Me[S],13Me)
type: Class
formula: C19H26O2
inchi: InChI=1S/C19H26O2/c1-6-15(2)11-12-17(4)14-18(5)13-16(3)9-7-8-10-19(20)21/h6-11,13-14,17H,1,12H2,2-5H3,(H,20,21)/b9-7+,10-8-,15-11+,16-13-,18-14+/t17-/m0/s1
inchikey: SKOXKKRJJGFOTR-UYBOVOCXSA-N
monoisotopicmass: 2.8619328E2
label: 6,8,10S,13-tetramethyl-2Z,4E,6Z,8E,12E,14E-pentadecahexaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196589
abbrev: FA 19:6

16-methyl-4-heptadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h10,12,17H,3-9,11,13-16H2,1-2H3,(H,19,20)/b12-10-
inchikey: RXZMICSJDZBATD-BENRWUELSA-N
monoisotopicmass: 2.82255881E2
label: 17:1(4)(16Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188250
abbrev: FA 18:1

17:1(6)(9Me)
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-3-4-5-6-8-11-14-17(2)15-12-9-7-10-13-16-18(19)20/h9,12,17H,3-8,10-11,13-16H2,1-2H3,(H,19,20)/b12-9-
inchikey: QQHLKKIONMSFBT-XFXZXTDPSA-N
monoisotopicmass: 2.82255881E2
label: 9-methyl-6-heptadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196205
abbrev: FA 18:1

17:1(12)(7Me)
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-11-14-17(2)15-12-10-13-16-18(19)20/h6-7,17H,3-5,8-16H2,1-2H3,(H,19,20)/b7-6-
inchikey: QSJQSHPYAWGMIN-SREVYHEPSA-N
monoisotopicmass: 2.82255881E2
label: 7-methyl-12-heptadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196204
abbrev: FA 18:1

22-methyl-5Z,9Z-octacosadienoic acid
type: Class
formula: C29H54O2
inchi: InChI=1S/C29H54O2/c1-3-4-5-22-25-28(2)26-23-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-24-27-29(30)31/h9,11,17,19,28H,3-8,10,12-16,18,20-27H2,1-2H3,(H,30,31)/b11-9-,19-17-
inchikey: KENISCOZQBFTGB-CCVDTEMHSA-N
monoisotopicmass: 4.34412381E2
label: 28:2(5Z,9Z)(22Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 29:2

22-methyl-5Z,9Z-nonacosadienoic acid
type: Class
formula: C30H56O2
inchi: InChI=1S/C30H56O2/c1-3-4-5-20-23-26-29(2)27-24-21-18-16-14-12-10-8-6-7-9-11-13-15-17-19-22-25-28-30(31)32/h9,11,17,19,29H,3-8,10,12-16,18,20-28H2,1-2H3,(H,31,32)/b11-9-,19-17-
inchikey: CIDYATGWQIHNDB-CCVDTEMHSA-N
monoisotopicmass: 4.48428031E2
label: 29:2(5Z,9Z)(22Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 30:2

16:2(2E,4E)(5Me,7Me[S])
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-4-5-6-7-8-9-10-12-16(2)15-17(3)13-11-14-18(19)20/h11,13-14,16H,4-10,12,15H2,1-3H3,(H,19,20)/b14-11+,17-13+/t16-/m0/s1
inchikey: IKCOREQMJNIDSQ-KSSGDZMESA-N
monoisotopicmass: 2.80240231E2
label: 5,7S-methyl-2E,4E-hexadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:2

16-methyl-5Z,9Z-octadecadienoic acid
type: Class
formula: C19H34O2
inchi: InChI=1S/C19H34O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h4,6,9,11,18H,3,5,7-8,10,12-17H2,1-2H3,(H,20,21)/b6-4-,11-9-
inchikey: RYYKVAYQZKMXOB-MJCCWDFWSA-N
monoisotopicmass: 2.94255881E2
label: 18:2(5Z,9Z)(16Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:2

17-methyl-5Z,9Z-octadecadienoic acid
type: Class
formula: C19H34O2
inchi: InChI=1S/C19H34O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h3-4,9,11,18H,5-8,10,12-17H2,1-2H3,(H,20,21)/b4-3-,11-9-
inchikey: LHACCDYASDXWID-GRKGQFRWSA-N
monoisotopicmass: 2.94255881E2
label: 18:2(5Z,9Z)(17Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:2

17:4(2E,4E,9E,11E)(8Me[R],10Me,15Me[R])
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-5-17(2)12-10-11-14-19(4)16-18(3)13-8-6-7-9-15-20(21)22/h6-7,9,11,14-18H,5,8,10,12-13H2,1-4H3,(H,21,22)/b7-6+,14-11+,15-9+,19-16+/t17-,18-/m1/s1
inchikey: KVMAVNKSYPGPGY-LOFSKYOMSA-N
monoisotopicmass: 3.04240231E2
label: 8R,10,15R-trimethyl-2E,4E,9E,11E-heptadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187938
abbrev: FA 20:4

15-methyl-6Z-hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h5,7,16H,3-4,6,8-15H2,1-2H3,(H,18,19)/b7-5-
inchikey: DWCHACQTXPELKE-ALCCZGGFSA-N
monoisotopicmass: 2.68240231E2
label: 16:1(6Z)(15Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196123
abbrev: FA 17:1

15-methyl-8Z-hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h3-4,16H,5-15H2,1-2H3,(H,18,19)/b4-3-
inchikey: JWCXEZKWYNAYNJ-ARJAWSKDSA-N
monoisotopicmass: 2.68240231E2
label: 16:1(8Z)(15Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196122
abbrev: FA 17:1

15-methyl-9Z-hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h4,6,16H,3,5,7-15H2,1-2H3,(H,18,19)/b6-4-
inchikey: CDQFEMZFLZBHOU-XQRVVYSFSA-N
monoisotopicmass: 2.68240231E2
label: 16:1(9Z)(15Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196125
abbrev: FA 17:1

15-methyl-10Z-hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19)/b8-6-
inchikey: RXCFIHNEQCDEAU-VURMDHGXSA-N
monoisotopicmass: 2.68240231E2
label: 16:1(10Z)(15Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196124
abbrev: FA 17:1

11-methyl-12E-octadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-3-4-5-9-12-15-18(2)16-13-10-7-6-8-11-14-17-19(20)21/h12,15,18H,3-11,13-14,16-17H2,1-2H3,(H,20,21)/b15-12+
inchikey: ATAFFFIQYLMZPZ-NTCAYCPXSA-N
monoisotopicmass: 2.96271531E2
label: 18:1(12E)(11Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196583
abbrev: FA 19:1

17-methyl-7Z-octadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h5,7,18H,3-4,6,8-17H2,1-2H3,(H,20,21)/b7-5-
inchikey: GXUFWRIBHGDWJE-ALCCZGGFSA-N
monoisotopicmass: 2.96271531E2
label: 18:1(7Z)(17Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_137752
abbrev: FA 19:1

3,5-Dimethyldodecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-4-5-6-7-8-9-12(2)10-13(3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
inchikey: BJCDOTOCKDZJAQ-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179795
abbrev: FA 14:0

3,5-Dimethyltridecanoic acid
type: Class
formula: C15H30O2
inchi: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-13(2)11-14(3)12-15(16)17/h13-14H,4-12H2,1-3H3,(H,16,17)
inchikey: STSMRHVOBUMOAP-UHFFFAOYSA-N
monoisotopicmass: 2.42224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_196026
abbrev: FA 15:0

3,5-Dimethylpentadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-15(2)13-16(3)14-17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)
inchikey: ONFXZBQXCIQXBU-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179982
abbrev: FA 17:0

2-Methylheptanoic acid
type: Class
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
inchikey: NKBWMBRPILTCRD-UHFFFAOYSA-N
monoisotopicmass: 1.4411503E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179946
abbrev: FA 8:0

3-Methyl-2E-heptenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-3-4-5-7(2)6-8(9)10/h6H,3-5H2,1-2H3,(H,9,10)/b7-6+
inchikey: BBLRVFUTKVICCR-VOTSOKGWSA-N
monoisotopicmass: 1.4209938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180321
abbrev: FA 8:1

(2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid
type: Class
formula: C7H8O6
inchi: InChI=1S/C7H8O6/c1-13-6(10)3-4(7(11)12)2-5(8)9/h2H,3H2,1H3,(H,8,9)(H,11,12)/b4-2+
inchikey: MRNZYUAGJLJQAM-DUXPYHPUSA-N
monoisotopicmass: 1.8803209E2
label: (2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_15661
abbrev: FA 7:3;O4

2-methylideneglutaric acid
type: Class
formula: C6H8O4
inchi: InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h1-3H2,(H,7,8)(H,9,10)
inchikey: CWNNYYIZGGDCHS-UHFFFAOYSA-N
monoisotopicmass: 1.4404226E2
label: 2-methylidenepentanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_17207
abbrev: FA 6:2;O2

3-[(2-aminoethyl)sulfanyl]-2-methylpropanoic acid
type: Class
formula: C6H13NO2S
inchi: InChI=1S/C6H13NO2S/c1-5(6(8)9)4-10-3-2-7/h5H,2-4,7H2,1H3,(H,8,9)
inchikey: UFRVABODKAYFCB-UHFFFAOYSA-N
monoisotopicmass: 1.630667E2
label: S-(2-carboxypropyl)-Cysteamine
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_184285

10-methyl-octadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: BEOUGZFCUMNGOU-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_68565
abbrev: FA 19:0

6-hydroxy-6-methyl-9-oxooctacosanoic acid
type: Class
formula: C29H56O4
inchi: InChI=1S/C29H56O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(30)24-26-29(2,33)25-21-20-23-28(31)32/h33H,3-26H2,1-2H3,(H,31,32)
inchikey: CGTVVCFTVVGYPL-UHFFFAOYSA-N
monoisotopicmass: 4.68417861E2
label: Argenonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 29:1;O2

6S-methyl-2E,4E-octadienoic acid
type: Class
formula: C9H14O2
inchi: InChI=1S/C9H14O2/c1-3-8(2)6-4-5-7-9(10)11/h4-8H,3H2,1-2H3,(H,10,11)/b6-4+,7-5+/t8-/m0/s1
inchikey: DNUJBTBPCOIYRL-QALPAXIDSA-N
monoisotopicmass: 1.5409938E2
label: Dendryphiellic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_168321
abbrev: FA 9:2

8-hydroxy-6S-methyl-2E,4E-octadienoic acid
type: Class
formula: C9H14O3
inchi: InChI=1S/C9H14O3/c1-8(6-7-10)4-2-3-5-9(11)12/h2-5,8,10H,6-7H2,1H3,(H,11,12)/b4-2+,5-3+/t8-/m1/s1
inchikey: KFHQGKGXRZPBOB-YFIBRCQFSA-N
monoisotopicmass: 1.70094295E2
label: Dendryphiellic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_184454
abbrev: FA 9:2;O

3,7,11-trimethyl-2Z,6Z-dodecaenoic acid
type: Class
formula: C25H46O2
inchi: InChI=1S/C25H46O2/c1-5-6-7-8-9-10-11-12-13-16-22(2)17-14-18-23(3)19-15-20-24(4)21-25(26)27/h19,21-22H,5-18,20H2,1-4H3,(H,26,27)/b23-19-,24-21-
inchikey: BNQMYXIDUOKRHF-LGGASEKISA-N
monoisotopicmass: 3.78349781E2
label: Farnesic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 25:2

2S-hydroxy-3S-methylpentanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
inchikey: RILPIWOPNGRASR-WHFBIAKZSA-N
monoisotopicmass: 1.32078645E2
label: L-Isoleucic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187422
abbrev: FA 6:0;O

5R-hydroxy-4S-methyl-2E-heptenoic acid
type: Class
formula: C8H14O3
inchi: InChI=1S/C8H14O3/c1-3-7(9)6(2)4-5-8(10)11/h4-7,9H,3H2,1-2H3,(H,10,11)/b5-4+/t6-,7+/m0/s1
inchikey: SUTQROWYWGRRPW-LYNIJRAASA-N
monoisotopicmass: 1.58094295E2
label: Mycinonic acid I
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_168163
abbrev: FA 8:1;O

15,16-dimethyltriacontanedioic acid
type: Class
formula: C32H62O4
inchi: InChI=1S/C32H62O4/c1-29(25-21-17-13-9-5-3-7-11-15-19-23-27-31(33)34)30(2)26-22-18-14-10-6-4-8-12-16-20-24-28-32(35)36/h29-30H,3-28H2,1-2H3,(H,33,34)(H,35,36)
inchikey: RJCXTLSYTKVXEI-UHFFFAOYSA-N
monoisotopicmass: 5.10464811E2
label: Diabolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 32:1;O2

16-methyl-octadeca-5Z,9Z,12Z-trienoic acid
type: Class
formula: C19H32O2
inchi: InChI=1S/C19H32O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h4,6,9-12,18H,3,5,7-8,13-17H2,1-2H3,(H,20,21)/b6-4-,11-9-,12-10-
inchikey: CBDCJUVYPOLINT-XXCIQDTRSA-N
monoisotopicmass: 2.92240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186921
abbrev: FA 19:3

15-methyl-11-Hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h8,10,16H,3-7,9,11-15H2,1-2H3,(H,18,19)
inchikey: DUARHATZMSOGKI-UHFFFAOYSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:1

3-Hydroxy-11-methyl-stearic acid
type: Class
formula: C19H38O3
inchi: InChI=1S/C19H38O3/c1-3-4-5-7-10-13-17(2)14-11-8-6-9-12-15-18(20)16-19(21)22/h17-18,20H,3-16H2,1-2H3,(H,21,22)
inchikey: VRTKLGUFFVGGRS-UHFFFAOYSA-N
monoisotopicmass: 3.14282096E2
label: 3-Hydroxy-11-methyloctadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 19:0;O

4-Methylnonanoic acid
type: Class
formula: C10H20O2
inchi: InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
inchikey: WQTZCQIRCYSUBQ-UHFFFAOYSA-N
monoisotopicmass: 1.7214633E2
label: 4-Methylpelargonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_179535
abbrev: FA 10:0

15-methyl-11Z-hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h8,10,16H,3-7,9,11-15H2,1-2H3,(H,18,19)/b10-8-
inchikey: DUARHATZMSOGKI-NTMALXAHSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:1

9-methyl-10Z-hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-3-4-5-7-10-13-16(2)14-11-8-6-9-12-15-17(18)19/h10,13,16H,3-9,11-12,14-15H2,1-2H3,(H,18,19)/b13-10-
inchikey: ICUHPGFTAYIVMT-RAXLEYEMSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:1

11-methyl-12Z-octadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-3-4-5-9-12-15-18(2)16-13-10-7-6-8-11-14-17-19(20)21/h12,15,18H,3-11,13-14,16-17H2,1-2H3,(H,20,21)/b15-12-
inchikey: ATAFFFIQYLMZPZ-QINSGFPZSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:1

10-methyl-9Z-octadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h16H,3-15,17H2,1-2H3,(H,20,21)/b18-16-
inchikey: RAILQKVJWBNVSR-VLGSPTGOSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:1

11-hydroxy-4-methyl-2E,4E,6E-dodecatrienoic acid
type: Class
formula: C13H20O3
inchi: InChI=1S/C13H20O3/c1-11(9-10-13(15)16)7-5-3-4-6-8-12(2)14/h3,5,7,9-10,12,14H,4,6,8H2,1-2H3,(H,15,16)/b5-3+,10-9+,11-7+
inchikey: XUQIFDLHGYJREE-HLTZDAHQSA-N
monoisotopicmass: 2.24141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_177969
abbrev: FA 13:3;O

22-methyl-5Z,9Z-triacontadienoic acid
type: Class
formula: C31H58O2
inchi: InChI=1S/C31H58O2/c1-3-4-5-6-21-24-27-30(2)28-25-22-19-17-15-13-11-9-7-8-10-12-14-16-18-20-23-26-29-31(32)33/h10,12,18,20,30H,3-9,11,13-17,19,21-29H2,1-2H3,(H,32,33)/b12-10-,20-18-
inchikey: YLYYCNNPOMROGW-VSEGLXAPSA-N
monoisotopicmass: 4.62443681E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 31:2

2,11-dimethyloctadecanoic acid
type: Class
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(3)20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
inchikey: INEPFJOQBUBZAB-UHFFFAOYSA-N
monoisotopicmass: 3.12302831E2
label: 2,11-dimethylstearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 20:0

4R-methyl-7Z,11Z-heptadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)15-16-18(19)20/h7-8,11-12,17H,3-6,9-10,13-16H2,1-2H3,(H,19,20)/b8-7-,12-11-/t17-/m1/s1
inchikey: HNLWSHWQZXSOLR-SYMGANTGSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:2

12,16-dimethyl-heptadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-17(2)13-12-15-18(3)14-10-8-6-4-5-7-9-11-16-19(20)21/h17-18H,4-16H2,1-3H3,(H,20,21)
inchikey: WWTFVKQWMIPRIU-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
label: 12,16-dimethylheptadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 19:0

8,14-dimethyl-pentadecanoic acid
type: Class
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-15(2)11-7-6-9-13-16(3)12-8-4-5-10-14-17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)
inchikey: NBUYWCOPCUYHNV-UHFFFAOYSA-N
monoisotopicmass: 2.70255881E2
label: 8,14-dimethylpentadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 17:0

10,16-dimethyl-heptadecanoic acid
type: Class
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-17(2)13-9-8-11-15-18(3)14-10-6-4-5-7-12-16-19(20)21/h17-18H,4-16H2,1-3H3,(H,20,21)
inchikey: RJHMLGHUQWBDBR-UHFFFAOYSA-N
monoisotopicmass: 2.98287181E2
label: 10,16-dimethylheptadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 19:0

12,18-dimethyl-nonadecanoic acid
type: Class
formula: C21H42O2
inchi: InChI=1S/C21H42O2/c1-19(2)15-11-10-13-17-20(3)16-12-8-6-4-5-7-9-14-18-21(22)23/h19-20H,4-18H2,1-3H3,(H,22,23)
inchikey: WINJIMVSUJWTJU-UHFFFAOYSA-N
monoisotopicmass: 3.26318481E2
label: 12,18-dimethylnonadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 21:0

12,15-dimethyhexadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-16(2)14-15-17(3)12-10-8-6-4-5-7-9-11-13-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
inchikey: OBWKSDPDCYMWRS-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
label: 12,15-dimethyl-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 18:0

10,15-dimethyl-hexadecanoic acid
type: Class
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-16(2)12-10-11-14-17(3)13-8-6-4-5-7-9-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
inchikey: JVNKXNPFSHMMDR-UHFFFAOYSA-N
monoisotopicmass: 2.84271531E2
label: 10,15-dimethylhexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 18:0

12,17-dimethyl-octadecanoic acid
type: Class
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-18(2)14-12-13-16-19(3)15-10-8-6-4-5-7-9-11-17-20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
inchikey: PWMANHFLJHZJJA-UHFFFAOYSA-N
monoisotopicmass: 3.12302831E2
label: 12,17-dimethyloctadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 20:0

14,19-dimethyl-eicosanoic-acid
type: Class
formula: C22H44O2
inchi: InChI=1S/C22H44O2/c1-20(2)16-14-15-18-21(3)17-12-10-8-6-4-5-7-9-11-13-19-22(23)24/h20-21H,4-19H2,1-3H3,(H,23,24)
inchikey: VJKLVILAZFDWDJ-UHFFFAOYSA-N
monoisotopicmass: 3.40334131E2
label: 14,19-dimethyleicosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 22:0

11-methyl-2Z-dodecenoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h9,11-12H,3-8,10H2,1-2H3,(H,14,15)/b11-9-
inchikey: SNTXNGAQYNSTHI-LUAWRHEFSA-N
monoisotopicmass: 2.1217763E2
label: 11-methyl-dodec-2Z-enoic Acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_81585
abbrev: FA 13:1

16-methyl-9E-nonadecenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-3-16-19(2)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(21)22/h4,6,19H,3,5,7-18H2,1-2H3,(H,21,22)/b6-4+
inchikey: SDEKLJPUPCJPTQ-GQCTYLIASA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 20:1

4-Methyl-7,11-heptadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)15-16-18(19)20/h7-8,11-12,17H,3-6,9-10,13-16H2,1-2H3,(H,19,20)/b8-7-,12-11-
inchikey: HNLWSHWQZXSOLR-MQEUWQHPSA-N
monoisotopicmass: 2.80240231E2
label: 4-methyl-7Z,11Z-heptadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 18:2

6-methyl-9-heptadecenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-19(2)17-14-15-18-20(21)22/h11-12,19H,3-10,13-18H2,1-2H3,(H,21,22)/b12-11+
inchikey: ADPXSSSUBLSXMG-VAWYXSNFSA-N
monoisotopicmass: 3.10287181E2
label: 6-methyl-9E-nonadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 20:1

2,13-dimethyltetradecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
inchikey: UJWBGLSRPBFGDV-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 16:0

4,9-dimethyldecanoic acid
type: Class
formula: C12H24O2
inchi: InChI=1S/C12H24O2/c1-10(2)6-4-5-7-11(3)8-9-12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14)
inchikey: ROSUZCIPJNWOTA-UHFFFAOYSA-N
monoisotopicmass: 2.0017763E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 12:0

4,11-dimethyldodecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-12(2)8-6-4-5-7-9-13(3)10-11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
inchikey: DKATXZUJCLGWLX-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 14:0

4,10-dimethyldodecanoic acid
type: Class
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-4-12(2)8-6-5-7-9-13(3)10-11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
inchikey: PSGIGILMTSKVKI-UHFFFAOYSA-N
monoisotopicmass: 2.2820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 14:0

4,13-dimethyltetradecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-14(2)10-8-6-4-5-7-9-11-15(3)12-13-16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
inchikey: ZYBCRBGIQFSXAT-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 16:0

4,12-dimethyltetradecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-4-14(2)10-8-6-5-7-9-11-15(3)12-13-16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
inchikey: OJTWSEASMTVDLM-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 16:0

2,12-dimethyltetradecanoic acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-4-14(2)12-10-8-6-5-7-9-11-13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
inchikey: SXILUVNCFRWCCF-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 16:0

13-methyl-10-(sulfooxy)tetradecanoic acid
type: Class
formula: C15H30O6S
inchi: InChI=1S/C15H30O6S/c1-13(2)11-12-14(21-22(18,19)20)9-7-5-3-4-6-8-10-15(16)17/h13-14H,3-12H2,1-2H3,(H,16,17)(H,18,19,20)
inchikey: JZVLQNZGNMOISM-UHFFFAOYSA-N
monoisotopicmass: 3.38176311E2
label: sufac#1
subclass of: https://www.lipidmaps.org/rdf/category/10102

13-methyl-9-(sulfooxy)tetradecanoic acid
type: Class
formula: C15H30O6S
inchi: InChI=1S/C15H30O6S/c1-13(2)9-8-11-14(21-22(18,19)20)10-6-4-3-5-7-12-15(16)17/h13-14H,3-12H2,1-2H3,(H,16,17)(H,18,19,20)
inchikey: LOHIJOXSSYNSKH-UHFFFAOYSA-N
monoisotopicmass: 3.38176311E2
label: sufac#2
subclass of: https://www.lipidmaps.org/rdf/category/10102

16-methyl-8Z-heptadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3-4,17H,5-16H2,1-2H3,(H,19,20)/b4-3-
inchikey: UHOWTHODMKLOOS-ARJAWSKDSA-N
monoisotopicmass: 2.82255881E2
label: Isooctadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 18:1

16-methyl-6Z-heptadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h6,8,17H,3-5,7,9-16H2,1-2H3,(H,19,20)/b8-6-
inchikey: MDNOJOQIMZMXKF-VURMDHGXSA-N
monoisotopicmass: 2.82255881E2
label: Isooctadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 18:1

14-methyl-6Z-pentadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h4,6,15H,3,5,7-14H2,1-2H3,(H,17,18)/b6-4-
inchikey: PLEXOMFVUZNSTQ-XQRVVYSFSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 16:1

(2E,4E)-8-(6-O-inositolyl)-8-oxo-2,7-dimethyl-octadienoic acid
type: Class
formula: C17H26O9
inchi: InChI=1S/C17H26O9/c1-8(7-10(18)19)5-3-4-6-9(2)17(25)26-16-14(23)12(21)11(20)13(22)15(16)24/h3-5,9,11-16,20-24H,6-7H2,1-2H3,(H,18,19)/b4-3+,8-5+/t9?,11-,12-,13-,14+,15-,16-/m1/s1
inchikey: AZVLQOXQFUJQAI-FTMGRIDQSA-N
monoisotopicmass: 3.74157686E2
subclass of: https://www.lipidmaps.org/rdf/category/10102

11-Methyl-2Z,5Z-dodecadienoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h3,5,9,11-12H,4,6-8,10H2,1-2H3,(H,14,15)/b5-3-,11-9-
inchikey: QMMZSJPSPRTHGB-IVCPHRBRSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 13:2

7R-hydroxy-6S-methyl-2E,4E-nonadienoic acid
type: Class
formula: C10H16O3
inchi: InChI=1S/C10H16O3/c1-3-9(11)8(2)6-4-5-7-10(12)13/h4-9,11H,3H2,1-2H3,(H,12,13)/b6-4+,7-5+/t8-,9+/m0/s1
inchikey: GAGPGLNKJBDMHP-ZWAIYACTSA-N
monoisotopicmass: 1.84109945E2
label: Mycinonic acid II
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 10:2;O

9R-hydroxy-2S,8S-dimethyl-3-oxo-2E,4E-undecadienoic acid
type: Class
formula: C13H20O4
inchi: InChI=1S/C13H20O4/c1-4-11(14)9(2)7-5-6-8-12(15)10(3)13(16)17/h5-11,14H,4H2,1-3H3,(H,16,17)/b7-5+,8-6+/t9-,10-,11+/m0/s1
inchikey: BMTLPJXRTRRHHH-RRMMGMBQSA-N
monoisotopicmass: 2.4013616E2
label: Mycinonic acid III
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 13:3;O2

(Z)-13-Methyltetradec-4-enoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h7,9,14H,3-6,8,10-13H2,1-2H3,(H,16,17)/b9-7-
inchikey: ZSGGBTWUFCJULA-CLFYSBASSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:1

16,21-dimethyldocosanoic acid
type: Class
formula: C24H48O2
inchi: InChI=1S/C24H48O2/c1-22(2)18-16-17-20-23(3)19-14-12-10-8-6-4-5-7-9-11-13-15-21-24(25)26/h22-23H,4-21H2,1-3H3,(H,25,26)
inchikey: MUGGNJSGCYILQS-UHFFFAOYSA-N
monoisotopicmass: 3.68365431E2
label: 16-methyl-iso-23:0
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 24:0

18,23-dimethyltetracosanoic acid
type: Class
formula: C26H52O2
inchi: InChI=1S/C26H52O2/c1-24(2)20-18-19-22-25(3)21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-23-26(27)28/h24-25H,4-23H2,1-3H3,(H,27,28)
inchikey: UVSSUMZSKXGOEN-UHFFFAOYSA-N
monoisotopicmass: 3.96396731E2
label: 18-methyl-iso-25:0
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 26:0

16,18,23-trimethyltetracosanoic acid
type: Class
formula: C27H54O2
inchi: InChI=1S/C27H54O2/c1-24(2)19-17-18-21-26(4)23-25(3)20-15-13-11-9-7-5-6-8-10-12-14-16-22-27(28)29/h24-26H,5-23H2,1-4H3,(H,28,29)
inchikey: DSJVAYGTGVRBMX-UHFFFAOYSA-N
monoisotopicmass: 4.10412381E2
label: 16,18-dimethyl-iso-24:0
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 27:0

18,20,24-trimethylpentacosanoic acid
type: Class
formula: C28H56O2
inchi: InChI=1S/C28H56O2/c1-25(2)20-19-22-27(4)24-26(3)21-17-15-13-11-9-7-5-6-8-10-12-14-16-18-23-28(29)30/h25-27H,5-24H2,1-4H3,(H,29,30)
inchikey: OUQSXJGBWYBANF-UHFFFAOYSA-N
monoisotopicmass: 4.24428031E2
label: 18,20-dimethyl-iso-26:0
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 28:0

3S-hydroxy-2S,4R,6R-trimethyloctanoic acid
type: Class
formula: C11H22O3
inchi: InChI=1S/C11H22O3/c1-5-7(2)6-8(3)10(12)9(4)11(13)14/h7-10,12H,5-6H2,1-4H3,(H,13,14)/t7-,8-,9+,10+/m1/s1
inchikey: PTBSRFJPVULOFP-IMSYWVGJSA-N
monoisotopicmass: 2.02156895E2
label: Hemibourgeanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 11:0;O

2,5-Dimethyltetradecanoic Acid
type: Class
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-14(2)12-13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)
inchikey: ILOORJBAWCAGSO-UHFFFAOYSA-N
monoisotopicmass: 2.56240231E2
label: Jobosic Acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
abbrev: FA 16:0

4,6-dimethylnona-5E-enoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-4-5-9(2)8-10(3)6-7-11(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)/b9-8+
inchikey: WWQYRFHPXLNMFN-CMDGGOBGSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 11:1

4,6-dimethyldeca-5E-enoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-4-5-6-10(2)9-11(3)7-8-12(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)/b10-9+
inchikey: YVLINXSOIKTHIB-MDZDMXLPSA-N
monoisotopicmass: 1.9816198E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 12:1

4,6-dimethylundeca-5E-enoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-4-5-6-7-11(2)10-12(3)8-9-13(14)15/h10,12H,4-9H2,1-3H3,(H,14,15)/b11-10+
inchikey: FPVXOLZRNGEMNO-ZHACJKMWSA-N
monoisotopicmass: 2.1217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 13:1

13-methyl-6Z-Tetradecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h3,5,14H,4,6-13H2,1-2H3,(H,16,17)/b5-3-
inchikey: AXBJKAMUOYSBFA-HYXAFXHYSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:1

22-methyllignoceric acid
type: Class
formula: C25H50O2
inchi: InChI=1S/C25H50O2/c1-3-24(2)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)
inchikey: ROFGTBFWXLYRFY-UHFFFAOYSA-N
monoisotopicmass: 3.82381081E2
label: 22-methyltetracosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
equivalent class: CHEBI_84882
abbrev: FA 25:0

16-Methyl-9Z-octadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h4,6,18H,3,5,7-17H2,1-2H3,(H,20,21)/b6-4-
inchikey: UJQHWKIUEBSKMR-XQRVVYSFSA-N
monoisotopicmass: 2.96271531E2
label: 16-methyl oleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:1

5Z,8Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
inchikey: YZXBAPSDXZZRGB-DOFZRALJSA-N
monoisotopicmass: 3.04240231E2
label: Arachidonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_15843
equivalent class: SLM_000000296
abbrev: FA 20:4

9Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
inchikey: ZQPPMHVWECSIRJ-KTKRTIGZSA-N
monoisotopicmass: 2.82255881E2
label: Oleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_16196
equivalent class: SLM_000000418
abbrev: FA 18:1

5Z,8Z,11Z,14Z-eicosatetraenoic acid (5,6,8,9,11,12,14,15-d8)
type: Class
formula: C20H24D8O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-/i6D,7D,9D,10D,12D,13D,15D,16D
inchikey: YZXBAPSDXZZRGB-FBFLGLDDSA-N
monoisotopicmass: 3.12290444E2
label: Arachidonic Acid (d8)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_137828

3-butenoic acid
type: Class
formula: C4H6O2
inchi: InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)
inchikey: PVEOYINWKBTPIZ-UHFFFAOYSA-N
monoisotopicmass: 8.603678E1
label: Vinyl acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_35897
abbrev: FA 4:1

2-pentenoic acid
type: Class
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
inchikey: YIYBQIKDCADOSF-ONEGZZNKSA-N
monoisotopicmass: 1.0005243E2
label: beta-ethyl acrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38366
abbrev: FA 5:1

3-pentenoic acid
type: Class
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2+
inchikey: UIUWNILCHFBLEQ-NSCUHMNNSA-N
monoisotopicmass: 1.0005243E2
label: beta-penteic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38370
abbrev: FA 5:1

4-pentenoic acid
type: Class
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
inchikey: HVAMZGADVCBITI-UHFFFAOYSA-N
monoisotopicmass: 1.0005243E2
label: Allyl acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_35936
abbrev: FA 5:1

2E-hexenoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
inchikey: NIONDZDPPYHYKY-SNAWJCMRSA-N
monoisotopicmass: 1.1406808E2
label: Isohydrosorbic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_87721
abbrev: FA 6:1

3-hexenoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+
inchikey: XXHDAWYDNSXJQM-ONEGZZNKSA-N
monoisotopicmass: 1.1406808E2
label: Hydrosorbic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_49285
abbrev: FA 6:1

4-hexenoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)/b3-2+
inchikey: NIDHFQDUBOVBKZ-NSCUHMNNSA-N
monoisotopicmass: 1.1406808E2
label: gamma-hexenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38356
abbrev: FA 6:1

5-hexenoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)
inchikey: XUDOZULIAWNMIU-UHFFFAOYSA-N
monoisotopicmass: 1.1406808E2
label: delta-hexenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180388
abbrev: FA 6:1

2-heptenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+
inchikey: YURNCBVQZBJDAJ-AATRIKPKSA-N
monoisotopicmass: 1.2808373E2
label: alpha-heptenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38364
abbrev: FA 7:1

3-heptenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)/b5-4+
inchikey: BCYXFRMDZWKZSF-SNAWJCMRSA-N
monoisotopicmass: 1.2808373E2
label: beta-heptenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179468
abbrev: FA 7:1

4-heptenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)/b4-3+
inchikey: KFXPOIKSDYRVKS-ONEGZZNKSA-N
monoisotopicmass: 1.2808373E2
label: gamma-heptenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_173497
abbrev: FA 7:1

5-heptenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2-3H,4-6H2,1H3,(H,8,9)/b3-2+
inchikey: KPSZWAJWFMFMFF-NSCUHMNNSA-N
monoisotopicmass: 1.2808373E2
label: delta-heptenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179469
abbrev: FA 7:1

6-heptenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)
inchikey: RWNJOXUVHRXHSD-UHFFFAOYSA-N
monoisotopicmass: 1.2808373E2
label: epsilon-heptenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38363
abbrev: FA 7:1

2Z-octenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6-
inchikey: CWMPPVPFLSZGCY-SREVYHEPSA-N
monoisotopicmass: 1.4209938E2
label: cis-alpha-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180285
abbrev: FA 8:1

2E-octenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+
inchikey: CWMPPVPFLSZGCY-VOTSOKGWSA-N
monoisotopicmass: 1.4209938E2
label: trans-alpha-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_86544
abbrev: FA 8:1

3Z-octenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)/b6-5-
inchikey: IWPOSDLLFZKGOW-WAYWQWQTSA-N
monoisotopicmass: 1.4209938E2
label: cis-beta-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180314
abbrev: FA 8:1

3E-octenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)/b6-5+
inchikey: IWPOSDLLFZKGOW-AATRIKPKSA-N
monoisotopicmass: 1.4209938E2
label: trans-beta-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180313
abbrev: FA 8:1

4Z-octenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h4-5H,2-3,6-7H2,1H3,(H,9,10)/b5-4-
inchikey: PFHBCQFBHMBAMC-PLNGDYQASA-N
monoisotopicmass: 1.4209938E2
label: cis-gamma-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180312
abbrev: FA 8:1

5Z-octenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h3-4H,2,5-7H2,1H3,(H,9,10)/b4-3-
inchikey: RRGOKSYVAZDNKR-ARJAWSKDSA-N
monoisotopicmass: 1.4209938E2
label: cis-delta-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_176781
abbrev: FA 8:1

5E-octenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h3-4H,2,5-7H2,1H3,(H,9,10)/b4-3+
inchikey: RRGOKSYVAZDNKR-ONEGZZNKSA-N
monoisotopicmass: 1.4209938E2
label: trans-delta-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180317
abbrev: FA 8:1

6Z-octenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2-3H,4-7H2,1H3,(H,9,10)/b3-2-
inchikey: OTJVLQGVNKNLCB-IHWYPQMZSA-N
monoisotopicmass: 1.4209938E2
label: cis-epsilon-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180316
abbrev: FA 8:1

6E-octenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2-3H,4-7H2,1H3,(H,9,10)/b3-2+
inchikey: OTJVLQGVNKNLCB-NSCUHMNNSA-N
monoisotopicmass: 1.4209938E2
label: trans-epsilon-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180315
abbrev: FA 8:1

2Z-nonenoic acid
type: Class
formula: C9H16O2
inchi: InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7-
inchikey: ADLXTJMPCFOTOO-FPLPWBNLSA-N
monoisotopicmass: 1.5611503E2
label: alpha-nonylenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 9:1

3-nonenoic acid
type: Class
formula: C9H16O2
inchi: InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h6-7H,2-5,8H2,1H3,(H,10,11)/b7-6+
inchikey: ZBPYTVBKHKUNHG-VOTSOKGWSA-N
monoisotopicmass: 1.5611503E2
label: beta-nonylenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195760
abbrev: FA 9:1

8-nonenoic acid
type: Class
formula: C9H16O2
inchi: InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h2H,1,3-8H2,(H,10,11)
inchikey: AWQOXJOAQMCOED-UHFFFAOYSA-N
monoisotopicmass: 1.5611503E2
label: 8-nonylenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186905
abbrev: FA 9:1

2-decenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+
inchikey: WXBXVVIUZANZAU-CMDGGOBGSA-N
monoisotopicmass: 1.7013068E2
label: 2-decylenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_50467
abbrev: FA 10:1

3-decenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)/b8-7+
inchikey: CPVUNKGURQKKKX-BQYQJAHWSA-N
monoisotopicmass: 1.7013068E2
label: 3-decylenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_37809
abbrev: FA 10:1

4E-decenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)/b7-6+
inchikey: XKZKQTCECFWKBN-VOTSOKGWSA-N
monoisotopicmass: 1.7013068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 10:1

8-decenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3H,4-9H2,1H3,(H,11,12)/b3-2+
inchikey: YBXSTMNNKQLBCD-NSCUHMNNSA-N
monoisotopicmass: 1.7013068E2
label: Isodecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 10:1

9-decenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)
inchikey: KHAVLLBUVKBTBG-UHFFFAOYSA-N
monoisotopicmass: 1.7013068E2
label: Caproleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_32381
abbrev: FA 10:1

2-hendecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/b10-9+
inchikey: IGBBVTAVILYDIO-MDZDMXLPSA-N
monoisotopicmass: 1.8414633E2
label: 2-undecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_39450
abbrev: FA 11:1

9-hendecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-3H,4-10H2,1H3,(H,12,13)/b3-2+
inchikey: QDRSJFZQMOOSAF-NSCUHMNNSA-N
monoisotopicmass: 1.8414633E2
label: 9-undecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_39452
abbrev: FA 11:1

10-undecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
inchikey: FRPZMMHWLSIFAZ-UHFFFAOYSA-N
monoisotopicmass: 1.8414633E2
label: Undecylenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_35045
abbrev: FA 11:1

2-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
inchikey: PAWGRNGPMLVJQH-UHFFFAOYSA-N
monoisotopicmass: 1.9816198E2
label: 2-lauroleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38371
abbrev: FA 12:1

4E-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-9H,2-7,10-11H2,1H3,(H,13,14)/b9-8+
inchikey: GCORITRBZMICMI-CMDGGOBGSA-N
monoisotopicmass: 1.9816198E2
label: Linderic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 12:1

6-lauroleic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-7H,2-5,8-11H2,1H3,(H,13,14)/b7-6+
inchikey: ZCEUIRJAEQQMMA-VOTSOKGWSA-N
monoisotopicmass: 1.9816198E2
label: 6E-dodecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179200
abbrev: FA 12:1

7-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-6H,2-4,7-11H2,1H3,(H,13,14)/b6-5+
inchikey: MZNHSVOKYCWLPQ-AATRIKPKSA-N
monoisotopicmass: 1.9816198E2
label: 7-lauroleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179199
abbrev: FA 12:1

9E-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-4H,2,5-11H2,1H3,(H,13,14)/b4-3+
inchikey: FKLSONDBCYHMOQ-ONEGZZNKSA-N
monoisotopicmass: 1.9816198E2
label: 9E-lauroleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38376
abbrev: FA 12:1

10-Lauroleic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-3H,4-11H2,1H3,(H,13,14)/b3-2+
inchikey: AZCVFLMXESYPIR-NSCUHMNNSA-N
monoisotopicmass: 1.9816198E2
label: 10-dodecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38378
abbrev: FA 12:1

11-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2H,1,3-11H2,(H,13,14)
inchikey: GZZPOFFXKUVNSW-UHFFFAOYSA-N
monoisotopicmass: 1.9816198E2
label: 11-lauroleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38381
abbrev: FA 12:1

2-tridecenoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/b12-11+
inchikey: GQVYBECSNBLQJV-VAWYXSNFSA-N
monoisotopicmass: 2.1217763E2
label: 3-n-decyl acrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_184969
abbrev: FA 13:1

11-tridecenoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-3H,4-12H2,1H3,(H,14,15)/b3-2+
inchikey: GMIPYROQJHDYBM-NSCUHMNNSA-N
monoisotopicmass: 2.1217763E2
label: Isotridecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186720
abbrev: FA 13:1

12-tridecenoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2H,1,3-12H2,(H,14,15)
inchikey: PARCICAYFORNPH-UHFFFAOYSA-N
monoisotopicmass: 2.1217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186884
abbrev: FA 13:1

2-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)/b13-12+
inchikey: IBYFOBGPNPINBU-OUKQBFOZSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_37271
abbrev: FA 14:1

4-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10-11H,2-9,12-13H2,1H3,(H,15,16)/b11-10+
inchikey: CUVLOCDGQCUQSI-ZHACJKMWSA-N
monoisotopicmass: 2.2619328E2
label: Tsuzuic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:1

8Z-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7H,2-5,8-13H2,1H3,(H,15,16)/b7-6-
inchikey: TXLBQXBKSSATFT-SREVYHEPSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179348
abbrev: FA 14:1

9Z-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
inchikey: YWWVWXASSLXJHU-WAYWQWQTSA-N
monoisotopicmass: 2.2619328E2
label: Myristoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_27781
equivalent class: SLM_000000856
abbrev: FA 14:1

2-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h13-14H,2-12H2,1H3,(H,16,17)/b14-13+
inchikey: HOGWBMWOBRRKCD-BUHFOSPRSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_78992
abbrev: FA 15:1

14-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2,(H,16,17)
inchikey: CAHZYAQCDBBLER-UHFFFAOYSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187169
abbrev: FA 15:1

2-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+
inchikey: ZVRMGCSSSYZGSM-CCEZHUSRSA-N
monoisotopicmass: 2.54224581E2
label: Gaidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_37252
abbrev: FA 16:1

7Z-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-15H2,1H3,(H,17,18)/b10-9-
inchikey: PJHOFUXBXJNUAC-KTKRTIGZSA-N
monoisotopicmass: 2.54224581E2
label: 7Z-palmitoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_35465
abbrev: FA 16:1

9Z-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
inchikey: SECPZKHBENQXJG-FPLPWBNLSA-N
monoisotopicmass: 2.54224581E2
label: cis-9-palmitoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_28716
equivalent class: SLM_000000411
abbrev: FA 16:1

9E-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+
inchikey: SECPZKHBENQXJG-BQYQJAHWSA-N
monoisotopicmass: 2.54224581E2
label: trans-9-palmitoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_59265
abbrev: FA 16:1

10Z-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7H,2-5,8-15H2,1H3,(H,17,18)/b7-6-
inchikey: HZJHNXIAYMADBX-SREVYHEPSA-N
monoisotopicmass: 2.54224581E2
label: cis-10-palmitoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179825
abbrev: FA 16:1

2-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/b16-15+
inchikey: GEHPRJRWZDWFBJ-FOCLMDBBSA-N
monoisotopicmass: 2.68240231E2
label: 2-heptadecylenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_79000
abbrev: FA 17:1

9Z-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8-
inchikey: QSBYPNXLFMSGKH-HJWRWDBZSA-N
monoisotopicmass: 2.68240231E2
label: Margaroleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_84328
abbrev: FA 17:1

2Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/b17-16-
inchikey: LKOVPWSSZFDYPG-MSUUIHNZSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_50575
abbrev: FA 18:1

2Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/b17-16+
inchikey: LKOVPWSSZFDYPG-WUKNDPDISA-N
monoisotopicmass: 2.82255881E2
label: trans-2-oleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_50572
abbrev: FA 18:1

3-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h15-16H,2-14,17H2,1H3,(H,19,20)/b16-15+
inchikey: DLPRXTUOPLIHNV-FOCLMDBBSA-N
monoisotopicmass: 2.82255881E2
label: 3-octadecylenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196191
abbrev: FA 18:1

4-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-15H,2-13,16-17H2,1H3,(H,19,20)/b15-14+
inchikey: OBNDIDKDLXSSCB-CCEZHUSRSA-N
monoisotopicmass: 2.82255881E2
label: 4-octadecylenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196190
abbrev: FA 18:1

5E-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-12,15-17H2,1H3,(H,19,20)/b14-13+
inchikey: AQWHMKSIVLSRNY-BUHFOSPRSA-N
monoisotopicmass: 2.82255881E2
label: Thalictric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196189
abbrev: FA 18:1

6Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-
inchikey: CNVZJPUDSLNTQU-SEYXRHQNSA-N
monoisotopicmass: 2.82255881E2
label: Petroselinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_28194
equivalent class: SLM_000001201
abbrev: FA 18:1

6E-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12+
inchikey: CNVZJPUDSLNTQU-OUKQBFOZSA-N
monoisotopicmass: 2.82255881E2
label: Petroselaidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_30829
abbrev: FA 18:1

7Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,2-10,13-17H2,1H3,(H,19,20)/b12-11-
inchikey: RVUCYJXFCAVHNC-QXMHVHEDSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_170099
abbrev: FA 18:1

7E-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,2-10,13-17H2,1H3,(H,19,20)/b12-11+
inchikey: RVUCYJXFCAVHNC-VAWYXSNFSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196195
abbrev: FA 18:1

8Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H,19,20)/b11-10-
inchikey: WRIDQFICGBMAFQ-KHPPLWFESA-N
monoisotopicmass: 2.82255881E2
label: cis-8-oleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196193
abbrev: FA 18:1

8E-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H,19,20)/b11-10+
inchikey: WRIDQFICGBMAFQ-ZHACJKMWSA-N
monoisotopicmass: 2.82255881E2
label: trans-8-elaidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196192
abbrev: FA 18:1

9-elaidic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
inchikey: ZQPPMHVWECSIRJ-MDZDMXLPSA-N
monoisotopicmass: 2.82255881E2
label: 9E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_27997
equivalent class: SLM_000389844
abbrev: FA 18:1

10Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9H,2-7,10-17H2,1H3,(H,19,20)/b9-8-
inchikey: QXJSBBXBKPUZAA-HJWRWDBZSA-N
monoisotopicmass: 2.82255881E2
label: cis-10-oleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196194
abbrev: FA 18:1

10E-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9H,2-7,10-17H2,1H3,(H,19,20)/b9-8+
inchikey: QXJSBBXBKPUZAA-CMDGGOBGSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_194454
abbrev: FA 18:1

11Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
inchikey: UWHZIFQPPBDJPM-FPLPWBNLSA-N
monoisotopicmass: 2.82255881E2
label: cis-vaccenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_50464
equivalent class: SLM_000001202
abbrev: FA 18:1

11E-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+
inchikey: UWHZIFQPPBDJPM-BQYQJAHWSA-N
monoisotopicmass: 2.82255881E2
label: trans-vaccenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_28727
equivalent class: SLM_000001203
abbrev: FA 18:1

12Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7H,2-5,8-17H2,1H3,(H,19,20)/b7-6-
inchikey: OXEDXHIBHVMDST-SREVYHEPSA-N
monoisotopicmass: 2.82255881E2
label: cis-12-oleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196198
abbrev: FA 18:1

12E-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7H,2-5,8-17H2,1H3,(H,19,20)/b7-6+
inchikey: OXEDXHIBHVMDST-VOTSOKGWSA-N
monoisotopicmass: 2.82255881E2
label: trans-12-elaidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196197
abbrev: FA 18:1

15E-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,5-17H2,1H3,(H,19,20)/b4-3+
inchikey: KSIKGJKZYDOVFA-ONEGZZNKSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_189754
abbrev: FA 18:1

16E-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3H,4-17H2,1H3,(H,19,20)/b3-2+
inchikey: DPUHOWDIWWPPIP-NSCUHMNNSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196196
abbrev: FA 18:1

17Z-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4H,2,5-19H2,1H3,(H,21,22)/b4-3-
inchikey: ZOKDQRULUYMUFA-ARJAWSKDSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180274
abbrev: FA 20:1

2-nonadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/b18-17+
inchikey: INKQLYSQWHBEGS-ISLYRVAYSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196577
abbrev: FA 19:1

9Z-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11-
inchikey: LQJBNNIYVWPHFW-QXMHVHEDSA-N
monoisotopicmass: 3.10287181E2
label: cis-Gadoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_32419
abbrev: FA 20:1

11Z-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-
inchikey: BITHHVVYSMSWAG-KTKRTIGZSA-N
monoisotopicmass: 3.10287181E2
label: cis-gondoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_32425
equivalent class: SLM_000000930
abbrev: FA 20:1

11E-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9+
inchikey: BITHHVVYSMSWAG-MDZDMXLPSA-N
monoisotopicmass: 3.10287181E2
label: trans-gondoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180275
abbrev: FA 20:1

14Z-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7H,2-5,8-19H2,1H3,(H,21,22)/b7-6-
inchikey: RMUJWENALAQPCS-SREVYHEPSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_167721
abbrev: FA 20:1

11Z-docosenoic acid
type: Class
formula: C22H42O2
inchikey: KJDZDTDNIULJBE-QXMHVHEDSA-N
monoisotopicmass: 3.38318481E2
label: cis-cetoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_32428
abbrev: FA 22:1

13Z-docosenoic acid
type: Class
formula: C22H42O2
inchikey: DPUOLQHDNGRHBS-KTKRTIGZSA-N
monoisotopicmass: 3.38318481E2
label: cis-erucic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_28792
equivalent class: SLM_000001118
abbrev: FA 22:1

13E-docosenoic acid
type: Class
formula: C22H42O2
inchikey: DPUOLQHDNGRHBS-MDZDMXLPSA-N
monoisotopicmass: 3.38318481E2
label: trans-brassidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165494
abbrev: FA 22:1

22-tricosenoic acid
type: Class
formula: C23H44O2
inchikey: YGTSVJQQDISEHZ-UHFFFAOYSA-N
monoisotopicmass: 3.52334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_73736
abbrev: FA 23:1

15Z-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: GWHCXVQVJPWHRF-KTKRTIGZSA-N
monoisotopicmass: 3.66349781E2
label: Nervonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_44247
equivalent class: SLM_000001131
abbrev: FA 24:1

15E-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: GWHCXVQVJPWHRF-MDZDMXLPSA-N
monoisotopicmass: 3.66349781E2
label: trans-selacholeic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187998
abbrev: FA 24:1

9-hexacosenoic acid
type: Class
formula: C26H50O2
inchikey: WCVLVNLRVRJFLN-ISLYRVAYSA-N
monoisotopicmass: 3.94381081E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188066
abbrev: FA 26:1

17Z-hexacosenoic acid
type: Class
formula: C26H50O2
inchikey: RQIDQEBURXNDKG-KTKRTIGZSA-N
monoisotopicmass: 3.94381081E2
label: Ximenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77525
equivalent class: SLM_000001213
abbrev: FA 26:1

19Z-octacosenoic acid
type: Class
formula: C28H54O2
inchikey: LRIRPGLVJGPHCK-KTKRTIGZSA-N
monoisotopicmass: 4.22412381E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 28:1

21Z-triacontenoic acid
type: Class
formula: C30H58O2
inchikey: QXYCISFUJXCMSU-KTKRTIGZSA-N
monoisotopicmass: 4.50443681E2
label: Lumequeic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 30:1

23Z-dotriacontenoic acid
type: Class
formula: C32H62O2
inchikey: ZCNLBPFYKVLOAJ-KTKRTIGZSA-N
monoisotopicmass: 4.78474981E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_191277
abbrev: FA 32:1

2,4-pentadienoic acid
type: Class
formula: C5H6O2
inchi: InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+
inchikey: SDVVLIIVFBKBMG-ONEGZZNKSA-N
monoisotopicmass: 9.803678E1
label: beta-vinyl acrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_37331
abbrev: FA 5:2

2E,4E-hexadienoic acid
type: Class
formula: C6H8O2
inchi: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
inchikey: WSWCOQWTEOXDQX-MQQKCMAXSA-N
monoisotopicmass: 1.1205243E2
label: Sorbic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38358
abbrev: FA 6:2

2Z,4Z-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6-,9-8-
inchikey: YKHVVNDSWHSBPA-JPDBVBESSA-N
monoisotopicmass: 1.6811503E2
label: cis, cis-stillingic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195810
abbrev: FA 10:2

2Z,4E-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6+,9-8-
inchikey: YKHVVNDSWHSBPA-MUIOLIGRSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195809
abbrev: FA 10:2

2E,4Z-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6-,9-8+
inchikey: YKHVVNDSWHSBPA-NMMTYZSQSA-N
monoisotopicmass: 1.6811503E2
label: trans, cis-stillingic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195813
abbrev: FA 10:2

2E,4E-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6+,9-8+
inchikey: YKHVVNDSWHSBPA-BLHCBFLLSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_72614
abbrev: FA 10:2

2Z,6Z-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-5,8-9H,2-3,6-7H2,1H3,(H,11,12)/b5-4-,9-8-
inchikey: GTVXSZWUQLCDFX-WPAMCMATSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195812
abbrev: FA 10:2

2E,6Z-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-5,8-9H,2-3,6-7H2,1H3,(H,11,12)/b5-4-,9-8+
inchikey: GTVXSZWUQLCDFX-FTGFODROSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195811
abbrev: FA 10:2

2E,6E-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-5,8-9H,2-3,6-7H2,1H3,(H,11,12)/b5-4+,9-8+
inchikey: GTVXSZWUQLCDFX-KQWYESAVSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195814
abbrev: FA 10:2

4E,6E-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-7H,2-3,8-9H2,1H3,(H,11,12)/b5-4+,7-6+
inchikey: PPOWOHYQDRHGKT-YTXTXJHMSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_192143
abbrev: FA 10:2

9,12-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,17,18)/b5-4+,8-7+
inchikey: RVEKLXYYCHAMDF-AOSYACOCSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165489
abbrev: FA 16:2

5Z,12Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,13-14H,2-5,8-12,15-17H2,1H3,(H,19,20)/b7-6-,14-13-
inchikey: BTAPSSPXWIGXBH-ZBXVJARNSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196527
abbrev: FA 18:2

5Z,12E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,13-14H,2-5,8-12,15-17H2,1H3,(H,19,20)/b7-6+,14-13-
inchikey: BTAPSSPXWIGXBH-PGWWRHNCSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196526
abbrev: FA 18:2

5E,12Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,13-14H,2-5,8-12,15-17H2,1H3,(H,19,20)/b7-6-,14-13+
inchikey: BTAPSSPXWIGXBH-HVADFRLWSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196525
abbrev: FA 18:2

5E,12E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,13-14H,2-5,8-12,15-17H2,1H3,(H,19,20)/b7-6+,14-13+
inchikey: BTAPSSPXWIGXBH-ZGDGPSKSSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196524
abbrev: FA 18:2

6,8-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-13H,2-9,14-17H2,1H3,(H,19,20)/b11-10+,13-12+
inchikey: CNKMVAJDUBKHMS-AQASXUMVSA-N
monoisotopicmass: 2.80240231E2
label: 6E,8E-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196530
abbrev: FA 18:2

8E,10E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-11H,2-7,12-17H2,1H3,(H,19,20)/b9-8+,11-10+
inchikey: QJKCKUNKNNYJNS-BNFZFUHLSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196529
abbrev: FA 18:2

8Z,11Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,10-11H,2-6,9,12-17H2,1H3,(H,19,20)/b8-7-,11-10-
inchikey: WBTBKRBXTLZUJG-NQLNTKRDSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196528
abbrev: FA 18:2

9Z,11Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7-,10-9-
inchikey: JBYXPOFIGCOSSB-QRLRYFCNSA-N
monoisotopicmass: 2.80240231E2
label: Ricinenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_188305
abbrev: FA 18:2

9Z,11E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-
inchikey: JBYXPOFIGCOSSB-GOJKSUSPSA-N
monoisotopicmass: 2.80240231E2
label: Rumenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_32798
equivalent class: SLM_000001204
abbrev: FA 18:2

9E,11E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9+
inchikey: JBYXPOFIGCOSSB-XBLVEGMJSA-N
monoisotopicmass: 2.80240231E2
label: Mangold's acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_88464
abbrev: FA 18:2

9Z,12Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
inchikey: OYHQOLUKZRVURQ-HZJYTTRNSA-N
monoisotopicmass: 2.80240231E2
label: Linoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_17351
equivalent class: SLM_000000407
abbrev: FA 18:2

9Z,12E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9-
inchikey: OYHQOLUKZRVURQ-KQHSAVHASA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_86141
abbrev: FA 18:2

9E,12Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9+
inchikey: OYHQOLUKZRVURQ-IXWMQOLASA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196531
abbrev: FA 18:2

9E,12E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+
inchikey: OYHQOLUKZRVURQ-AVQMFFATSA-N
monoisotopicmass: 2.80240231E2
label: Linoelaidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_75108
abbrev: FA 18:2

10Z,12Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8-
inchikey: GKJZMAHZJGSBKD-JPDBVBESSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_83063
abbrev: FA 18:2

10E,12Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
inchikey: GKJZMAHZJGSBKD-NMMTYZSQSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_44526
abbrev: FA 18:2

10E,12E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6+,9-8+
inchikey: GKJZMAHZJGSBKD-BLHCBFLLSA-N
monoisotopicmass: 2.80240231E2
label: Mikusch's acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196532
abbrev: FA 18:2

10Z,13Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6,8-9H,2-4,7,10-17H2,1H3,(H,19,20)/b6-5-,9-8-
inchikey: ZODRLJLUCBBQSJ-AFJQJTPPSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_183601
abbrev: FA 18:2

10Z,13Z-nonadecadienoic acid
type: Class
formula: C19H34O2
inchi: InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,20,21)/b7-6-,10-9-
inchikey: FLYBGKXSHCVONZ-HZJYTTRNSA-N
monoisotopicmass: 2.94255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:2

11,14-eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6+,10-9+
inchikey: XSXIVVZCUAHUJO-AVQMFFATSA-N
monoisotopicmass: 3.08271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_194379
abbrev: FA 20:2

5,13-docosadienoic acid
type: Class
formula: C22H40O2
inchikey: HVHVBKMJDJLCEQ-RKHHRFTBSA-N
monoisotopicmass: 3.36302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:2

13,16-docosadienoic acid
type: Class
formula: C22H40O2
inchikey: HVGRZDASOHMCSK-AVQMFFATSA-N
monoisotopicmass: 3.36302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_145970
abbrev: FA 22:2

17,20-hexacosadienoic acid
type: Class
formula: C26H48O2
inchikey: LXCFWFXRQOXBHW-AVQMFFATSA-N
monoisotopicmass: 3.92365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:2

4,7,10-hexadecatrienoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10,12-13H,2-5,8,11,14-15H2,1H3,(H,17,18)/b7-6+,10-9+,13-12+
inchikey: SBIXFICRPNNLIR-YHTMAJSVSA-N
monoisotopicmass: 2.5019328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180363
abbrev: FA 16:3

5E,8E,11E-hexadecatrienoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6,8-9,11-12H,2-4,7,10,13-15H2,1H3,(H,17,18)/b6-5+,9-8+,12-11+
inchikey: JGTFGPXKMOGVGT-XSHSMGBESA-N
monoisotopicmass: 2.5019328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180362
abbrev: FA 16:3

6,9,12-hexadecatrienoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)/b5-4+,8-7+,11-10+
inchikey: SBEXLJDCZSJDLW-JSIPCRQOSA-N
monoisotopicmass: 2.5019328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165478
abbrev: FA 16:3

6,10,14-hexadecatrienoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,6-7,10-11H,4-5,8-9,12-15H2,1H3,(H,17,18)/b3-2+,7-6+,11-10+
inchikey: ZKCRKOCVERWCLP-DJWHJZFYSA-N
monoisotopicmass: 2.5019328E2
label: Hiragonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180366
abbrev: FA 16:3

7Z,10Z,13Z-hexadecatrienoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-
inchikey: KBGYPXOSNDMZRV-PDBXOOCHSA-N
monoisotopicmass: 2.5019328E2
label: Roughanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_22340
abbrev: FA 16:3

9,12,15-hexadecatrienoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,4-5,7-8H,1,3,6,9-15H2,(H,17,18)/b5-4+,8-7+
inchikey: OAXMYGCFSSOPQP-AOSYACOCSA-N
monoisotopicmass: 2.5019328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180364
abbrev: FA 16:3

3E,9Z,12Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,15-16H,2-5,8,11-14,17H2,1H3,(H,19,20)/b7-6-,10-9-,16-15+
inchikey: FEWFGHQMEYATJR-XTEDJDMISA-N
monoisotopicmass: 2.78224581E2
label: Caleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180175
abbrev: FA 18:3

6Z,9Z,12Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
inchikey: VZCCETWTMQHEPK-QNEBEIHSSA-N
monoisotopicmass: 2.78224581E2
label: gamma-Linolenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_28661
equivalent class: SLM_000001103
abbrev: FA 18:3

6,10,14-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,8-9,12-13H,2-3,6-7,10-11,14-17H2,1H3,(H,19,20)/b5-4+,9-8+,13-12+
inchikey: QWIGRJKFODXCPT-UJIFBZJGSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180174
abbrev: FA 18:3

8Z,10E,12Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10-
inchikey: DQGMPXYVZZCNDQ-KDQYYBQISA-N
monoisotopicmass: 2.78224581E2
label: Jacaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180177
abbrev: FA 18:3

8E,10E,12Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10+
inchikey: DQGMPXYVZZCNDQ-KBPWROHVSA-N
monoisotopicmass: 2.78224581E2
label: alpha-calendic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_86148
abbrev: FA 18:3

8E,10E,12E-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6+,9-8+,11-10+
inchikey: DQGMPXYVZZCNDQ-OBWVEWQSSA-N
monoisotopicmass: 2.78224581E2
label: beta-calendic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180176
abbrev: FA 18:3

9Z,11E,13Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9-
inchikey: CUXYLFPMQMFGPL-BGDVVUGTSA-N
monoisotopicmass: 2.78224581E2
label: Punicic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI 8638
abbrev: FA 18:3

9Z,11E,13E-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9-
inchikey: CUXYLFPMQMFGPL-WPOADVJFSA-N
monoisotopicmass: 2.78224581E2
label: alpha-eleostearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_10275
abbrev: FA 18:3

9E,11E,13E-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9+
inchikey: CUXYLFPMQMFGPL-SUTYWZMXSA-N
monoisotopicmass: 2.78224581E2
label: beta-eleostearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_38384
abbrev: FA 18:3

9,12,14-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-7,9-10H,2-3,8,11-17H2,1H3,(H,19,20)/b5-4+,7-6+,10-9+
inchikey: WLRRKOLEXBNXGR-ZYXMWXIMSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_165488
abbrev: FA 18:3

9Z,12Z,15Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
inchikey: DTOSIQBPPRVQHS-PDBXOOCHSA-N
monoisotopicmass: 2.78224581E2
label: alpha-Linolenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_27432
equivalent class: SLM_000001101
abbrev: FA 18:3

9E,12E,15E-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+
inchikey: DTOSIQBPPRVQHS-IUQGRGSQSA-N
monoisotopicmass: 2.78224581E2
label: Elaidolinolenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165492
abbrev: FA 18:3

10,12,14-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-9H,2-3,10-17H2,1H3,(H,19,20)
inchikey: PGJFZEZVGMGXJZ-UHFFFAOYSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:3

10E,12E,14E-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-9H,2-3,10-17H2,1H3,(H,19,20)/b5-4+,7-6+,9-8+
inchikey: PGJFZEZVGMGXJZ-ZAJAATJQSA-N
monoisotopicmass: 2.78224581E2
label: Pseudoeleostearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180178
abbrev: FA 18:3

10,12,15-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-9H,2,5,10-17H2,1H3,(H,19,20)/b4-3+,7-6+,9-8+
inchikey: DASDQNZKDMCAQF-SIRUGEDZSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_165448
abbrev: FA 18:3

5,8,11-eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10-9+,13-12+,16-15+
inchikey: UNSRRHDPHVZAHH-WYTUUNCASA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

8Z,11Z,14Z-eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
inchikey: HOBAELRKJCKHQD-QNEBEIHSSA-N
monoisotopicmass: 3.06255881E2
label: bishomo-gamma-linolenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_53486
equivalent class: SLM_000000928
abbrev: FA 20:3

11,14,17-eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+
inchikey: AHANXAKGNAKFSK-IUQGRGSQSA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

7,10,13-docosatrienoic acid
type: Class
formula: C22H38O2
inchikey: OEPMAZVWYGAFLM-WYTUUNCASA-N
monoisotopicmass: 3.34287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:3

8,11,14-docosatrienoic acid
type: Class
formula: C22H38O2
inchikey: WTZVQLYXUVWFEQ-NCEJYBGESA-N
monoisotopicmass: 3.34287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:3

16:4(4Z,7Z,10Z,13Z)
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10,12-13H,2,5,8,11,14-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-,13-12-
inchikey: IVTCJQZAGWTMBZ-LTKCOYKYSA-N
monoisotopicmass: 2.4817763E2
label: 4Z,7Z,10Z,13Z-hexadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_83030
abbrev: FA 16:4

4,7,11,14-hexadecatetraenoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,5-6,9-10,12-13H,4,7-8,11,14-15H2,1H3,(H,17,18)/b3-2+,6-5+,10-9+,13-12+
inchikey: ZZNKKFHDVFOAEZ-VAAAAXNRSA-N
monoisotopicmass: 2.4817763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196486
abbrev: FA 16:4

4,8,12,15-hexadecatetraenoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,5-6,8-9,12-13H,1,3-4,7,10-11,14-15H2,(H,17,18)/b6-5+,9-8+,13-12+
inchikey: PPFXXOXUWGSHRC-JULSWDIZSA-N
monoisotopicmass: 2.4817763E2
label: 4E,8E,12E,15-hexadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196488
abbrev: FA 16:4

16:4(6,9,12,15)
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,4-5,7-8,10-11H,1,3,6,9,12-15H2,(H,17,18)/b5-4?,8-7?,11-10-
inchikey: OKBAWLHHZWRDBE-QNJRHPAQSA-N
monoisotopicmass: 2.4817763E2
label: 6,9,12,15-hexadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196487
abbrev: FA 16:4

3E,9Z,12Z,15Z-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,16-15+
inchikey: JNIPNHCEUZIVID-BPJKAVOUSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

6,9,12,15-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+,13-12+
inchikey: JIWBIWFOSCKQMA-GFRMADBLSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

9E,11E,13E,15E-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-10H,2,11-17H2,1H3,(H,19,20)/b4-3+,6-5+,8-7+,10-9+
inchikey: IJTNSXPMYKJZPR-BYFNFPHLSA-N
monoisotopicmass: 2.7620893E2
label: beta-parinaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_32410
abbrev: FA 18:4

9,12,15,17-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-4,6-7,9-10H,1,5,8,11-17H2,(H,19,20)/b4-3+,7-6+,10-9+
inchikey: NHYXSSAHTBZUIJ-IUQGRGSQSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

4,8,12,16-eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h4-5,8-9,12-13,16-17H,2-3,6-7,10-11,14-15,18-19H2,1H3,(H,21,22)/b5-4+,9-8+,13-12+,17-16+
inchikey: QSMHRTSIMKYDTO-FFIJXKSSSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

6,10,14,18-eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-3,6-7,10-11,14-15H,4-5,8-9,12-13,16-19H2,1H3,(H,21,22)/b3-2+,7-6+,11-10+,15-14+
inchikey: GBSVAUZPMIQVJE-OSWCZRQLSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_192884
abbrev: FA 20:4

8,11,14,17-eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+,13-12+
inchikey: HQPCSDADVLFHHO-GFRMADBLSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

4,7,10,13-docosatetraenoic acid
type: Class
formula: C22H36O2
inchikey: WSCPRLMTEVITJR-WFYBHXQRSA-N
monoisotopicmass: 3.32271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165467
abbrev: FA 22:4

7Z,10Z,13Z,16Z-docosatetraenoic acid
type: Class
formula: C22H36O2
inchikey: TWSWSIQAPQLDBP-DOFZRALJSA-N
monoisotopicmass: 3.32271531E2
label: Adrenic Acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_53487
equivalent class: SLM_000001124
abbrev: FA 22:4

8,12,16,19-docosatetraenoic acid
type: Class
formula: C22H36O2
inchikey: SGTUDMPUJCDZHD-RDQFZKTJSA-N
monoisotopicmass: 3.32271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165486
abbrev: FA 22:4

4,8,12,15,18-eicosapentaenoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-3,5-6,8-9,12-13,16-17H,4,7,10-11,14-15,18-19H2,1H3,(H,21,22)/b3-2+,6-5+,9-8+,13-12+,17-16+
inchikey: MVAGWEQBBLEOBC-YMXLJGMHSA-N
monoisotopicmass: 3.02224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_193189
abbrev: FA 20:5

4,7,10,13,16-docosapentaenoic acid
type: Class
formula: C22H34O2
inchikey: AVKOENOBFIYBSA-GUTOPQIJSA-N
monoisotopicmass: 3.30255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165466
abbrev: FA 22:5

4,8,12,15,19-docosapentaenoic acid
type: Class
formula: C22H34O2
inchikey: PIFPCDRPHCQLSJ-WYIJOVFWSA-N
monoisotopicmass: 3.30255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_170127
abbrev: FA 22:5

7,10,13,16,19-docosapentaenoic acid
type: Class
formula: C22H34O2
inchikey: YUFFSWGQGVEMMI-RCHUDCCISA-N
monoisotopicmass: 3.30255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:5

4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid
type: Class
formula: C22H32O2
inchikey: MBMBGCFOFBJSGT-KUBAVDMBSA-N
monoisotopicmass: 3.28240231E2
label: DHA
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_28125
equivalent class: SLM_000001084
abbrev: FA 22:6

4,8,12,15,19,21-tetracosahexaenoic acid
type: Class
formula: C24H36O2
inchikey: VIEVDWQLJOPJTP-FWMXRSOJSA-N
monoisotopicmass: 3.56271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165468
abbrev: FA 24:6

5-(2-cyclopentenyl)-pentanoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c11-10(12)8-4-3-7-9-5-1-2-6-9/h1,5,9H,2-4,6-8H2,(H,11,12)
inchikey: LKYXRLKMAYFZDK-UHFFFAOYSA-N
monoisotopicmass: 1.6811503E2
label: Aleprestic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_195828
abbrev: FA 10:2

7-(2-cyclopentenyl)-heptanoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c13-12(14)10-4-2-1-3-7-11-8-5-6-9-11/h5,8,11H,1-4,6-7,9-10H2,(H,13,14)
inchikey: GMYNCKRSFMEXPG-UHFFFAOYSA-N
monoisotopicmass: 1.9614633E2
label: Aleprylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_187643
abbrev: FA 12:2

9-(2-cyclopentenyl)-nonanoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c15-14(16)12-6-4-2-1-3-5-9-13-10-7-8-11-13/h7,10,13H,1-6,8-9,11-12H2,(H,15,16)
inchikey: DTHSUAKYTFUSQU-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
label: Alepric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_186215
abbrev: FA 14:2

2-propenoic acid
type: Class
formula: C3H4O2
inchi: InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
inchikey: NIXOWILDQLNWCW-UHFFFAOYSA-N
monoisotopicmass: 7.202113E1
label: Acrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_18308
abbrev: FA 3:1

2Z-butenoic acid
type: Class
formula: C4H6O2
inchi: InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-
inchikey: LDHQCZJRKDOVOX-IHWYPQMZSA-N
monoisotopicmass: 8.603678E1
label: Isocrotonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_36253
abbrev: FA 4:1

2E-butenoic acid
type: Class
formula: C4H6O2
inchi: InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
inchikey: LDHQCZJRKDOVOX-NSCUHMNNSA-N
monoisotopicmass: 8.603678E1
label: Crotonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_41131
abbrev: FA 4:1

3Z-decenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)/b8-7-
inchikey: CPVUNKGURQKKKX-FPLPWBNLSA-N
monoisotopicmass: 1.7013068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180206
abbrev: FA 10:1

4Z-decenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)/b7-6-
inchikey: XKZKQTCECFWKBN-SREVYHEPSA-N
monoisotopicmass: 1.7013068E2
label: Obtusilic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_32380
abbrev: FA 10:1

2,3-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7,9H,2-6H2,1H3,(H,11,12)
inchikey: PKVDRQPENZXLCF-UHFFFAOYSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 10:2

2,5-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6,8-9H,2-4,7H2,1H3,(H,11,12)/b6-5+,9-8+
inchikey: ZPKMYFGIJPDUBP-HHWLVVFRSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165457
abbrev: FA 10:2

2E,7E-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h3-4,8-9H,2,5-7H2,1H3,(H,11,12)/b4-3+,9-8+
inchikey: TYZLUUUDJFCVAL-DDJGDYJSSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195819
abbrev: FA 10:2

2E,7Z-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h3-4,8-9H,2,5-7H2,1H3,(H,11,12)/b4-3-,9-8+
inchikey: TYZLUUUDJFCVAL-VHPFQHCPSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195818
abbrev: FA 10:2

2Z,6E-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-5,8-9H,2-3,6-7H2,1H3,(H,11,12)/b5-4+,9-8-
inchikey: GTVXSZWUQLCDFX-PXJZJIAOSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195817
abbrev: FA 10:2

3,4-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6,8H,2-5,9H2,1H3,(H,11,12)
inchikey: ZKAHUHMZOOIHMU-UHFFFAOYSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195816
abbrev: FA 10:2

3,5-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-8H,2-4,9H2,1H3,(H,11,12)/b6-5+,8-7+
inchikey: NIXJSSSDLHOVCL-BSWSSELBSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195823
abbrev: FA 10:2

3E,5Z-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-8H,2-4,9H2,1H3,(H,11,12)/b6-5-,8-7+
inchikey: NIXJSSSDLHOVCL-IGTJQSIKSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195822
abbrev: FA 10:2

3Z,5E-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-8H,2-4,9H2,1H3,(H,11,12)/b6-5+,8-7-
inchikey: NIXJSSSDLHOVCL-MDAAKZFYSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195821
abbrev: FA 10:2

4,8-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,6-7H,4-5,8-9H2,1H3,(H,11,12)/b3-2+,7-6+
inchikey: XDQQQSFYCSYSCP-BLWKUPHCSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195820
abbrev: FA 10:2

4E,9-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2,6-7H,1,3-5,8-9H2,(H,11,12)/b7-6+
inchikey: HUWLXPDFBSKCSY-VOTSOKGWSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195825
abbrev: FA 10:2

5E,9-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2,5-6H,1,3-4,7-9H2,(H,11,12)/b6-5+
inchikey: AWEDVYGPYFSFRJ-AATRIKPKSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_192944
abbrev: FA 10:2

5E,8E-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,5-6H,4,7-9H2,1H3,(H,11,12)/b3-2+,6-5+
inchikey: QEIXPEPQEMBGFO-ZIMISOLQSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195824
abbrev: FA 10:2

6E,8E-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-5H,6-9H2,1H3,(H,11,12)/b3-2+,5-4+
inchikey: KMPQVMWMDOWSLS-MQQKCMAXSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195827
abbrev: FA 10:2

7,9-decadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-4H,1,5-9H2,(H,11,12)/b4-3+
inchikey: XIHMVGZKONUSLB-ONEGZZNKSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195826
abbrev: FA 10:2

2E,6E,8E-decatrienoic acid
type: Class
formula: C10H14O2
inchi: InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,11,12)/b3-2+,5-4+,9-8+
inchikey: VBYOTISTNZJGRH-DTFLGMRGSA-N
monoisotopicmass: 1.6609938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188402
abbrev: FA 10:3

2E,6Z,8E-decatrienoic acid
type: Class
formula: C10H14O2
inchi: InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,11,12)/b3-2+,5-4-,9-8+
inchikey: VBYOTISTNZJGRH-IPKGEKJZSA-N
monoisotopicmass: 1.6609938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195783
abbrev: FA 10:3

2Z-undecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/b10-9-
inchikey: IGBBVTAVILYDIO-KTKRTIGZSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_39451
abbrev: FA 11:1

3E-undecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h8-9H,2-7,10H2,1H3,(H,12,13)/b9-8+
inchikey: OQDNPLAISLNBNS-CMDGGOBGSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165465
abbrev: FA 11:1

6Z-undecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h5-6H,2-4,7-10H2,1H3,(H,12,13)/b6-5-
inchikey: DRIWYILTZPGTFU-WAYWQWQTSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196482
abbrev: FA 11:1

8Z-undecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h3-4H,2,5-10H2,1H3,(H,12,13)/b4-3-
inchikey: ZFRVYEXVYDDXFZ-ARJAWSKDSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196483
abbrev: FA 11:1

9Z-undecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-3H,4-10H2,1H3,(H,12,13)/b3-2-
inchikey: QDRSJFZQMOOSAF-IHWYPQMZSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_39454
abbrev: FA 11:1

2E,4E-undecadienoic acid
type: Class
formula: C11H18O2
inchi: InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h7-10H,2-6H2,1H3,(H,12,13)/b8-7+,10-9+
inchikey: WXUGSDBMQDMRMU-XBLVEGMJSA-N
monoisotopicmass: 1.8213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185570
abbrev: FA 11:2

10Z-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-3H,4-11H2,1H3,(H,13,14)/b3-2-
inchikey: AZCVFLMXESYPIR-IHWYPQMZSA-N
monoisotopicmass: 1.9816198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38380
abbrev: FA 12:1

2Z-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10-
inchikey: PAWGRNGPMLVJQH-KHPPLWFESA-N
monoisotopicmass: 1.9816198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38372
abbrev: FA 12:1

5E-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7+
inchikey: IJBFSOLHRKELLR-BQYQJAHWSA-N
monoisotopicmass: 1.9816198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196466
abbrev: FA 12:1

5Z-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7-
inchikey: IJBFSOLHRKELLR-FPLPWBNLSA-N
monoisotopicmass: 1.9816198E2
label: Lauroleinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_86595
abbrev: FA 12:1

6Z-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-7H,2-5,8-11H2,1H3,(H,13,14)/b7-6-
inchikey: ZCEUIRJAEQQMMA-SREVYHEPSA-N
monoisotopicmass: 1.9816198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179202
abbrev: FA 12:1

7Z-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-6H,2-4,7-11H2,1H3,(H,13,14)/b6-5-
inchikey: MZNHSVOKYCWLPQ-WAYWQWQTSA-N
monoisotopicmass: 1.9816198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179203
abbrev: FA 12:1

9Z-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-4H,2,5-11H2,1H3,(H,13,14)/b4-3-
inchikey: FKLSONDBCYHMOQ-ARJAWSKDSA-N
monoisotopicmass: 1.9816198E2
label: Lauroleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38377
abbrev: FA 12:1

2E,4E-dodecadienoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+
inchikey: HQSBWLQFLLMPKC-BNFZFUHLSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165459
abbrev: FA 12:2

2E,6Z-dodecadienoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-7,10-11H,2-5,8-9H2,1H3,(H,13,14)/b7-6-,11-10+
inchikey: RFHKVLKBWQIQDY-JFEAUALZSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_37212
abbrev: FA 12:2

2E,8E-dodecadienoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-5,10-11H,2-3,6-9H2,1H3,(H,13,14)/b5-4+,11-10+
inchikey: FWXDEWYURMQUOL-PMXBNEBOSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185954
abbrev: FA 12:2

2E,8Z-dodecadienoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-5,10-11H,2-3,6-9H2,1H3,(H,13,14)/b5-4-,11-10+
inchikey: FWXDEWYURMQUOL-JWPKELMXSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195924
abbrev: FA 12:2

2Z,8E-dodecadienoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-5,10-11H,2-3,6-9H2,1H3,(H,13,14)/b5-4+,11-10-
inchikey: FWXDEWYURMQUOL-MQZVTSARSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195923
abbrev: FA 12:2

2Z,8Z-dodecadienoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-5,10-11H,2-3,6-9H2,1H3,(H,13,14)/b5-4-,11-10-
inchikey: FWXDEWYURMQUOL-NKIGAPEHSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195925
abbrev: FA 12:2

5E,7E-dodecadienoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-8H,2-4,9-11H2,1H3,(H,13,14)/b6-5+,8-7+
inchikey: FJEBEOYAPDCMES-BSWSSELBSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187784
abbrev: FA 12:2

7Z,9E-dodecadienoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-6H,2,7-11H2,1H3,(H,13,14)/b4-3+,6-5-
inchikey: DAOYHEHYLCLGOY-ICWBMWKASA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_184267
abbrev: FA 12:2

8E,10E-dodecadienoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-5H,6-11H2,1H3,(H,13,14)/b3-2+,5-4+
inchikey: RIRWUBGRKQQBBQ-MQQKCMAXSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_191878
abbrev: FA 12:2

8Z,10E-dodecadienoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-5H,6-11H2,1H3,(H,13,14)/b3-2+,5-4-
inchikey: RIRWUBGRKQQBBQ-IAROGAJJSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195926
abbrev: FA 12:2

2E,4E,8Z,10E-dodecatetraenoic acid
type: Class
formula: C12H16O2
inchi: InChI=1S/C12H16O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-5,8-11H,6-7H2,1H3,(H,13,14)/b3-2+,5-4-,9-8+,11-10+
inchikey: RUQFLFFSSDCHKE-CRIHJKBTSA-N
monoisotopicmass: 1.9211503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179918
abbrev: FA 12:4

2E,6E,8E,10E-dodecatetraenoic acid
type: Class
formula: C12H16O2
inchi: InChI=1S/C12H16O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-7,10-11H,8-9H2,1H3,(H,13,14)/b3-2+,5-4+,7-6+,11-10+
inchikey: ASTBWPMXGJCVAM-IFZPDKMOSA-N
monoisotopicmass: 1.9211503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179917
abbrev: FA 12:4

2E,6E,8Z,10E-dodecatetraenoic acid
type: Class
formula: C12H16O2
inchi: InChI=1S/C12H16O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-7,10-11H,8-9H2,1H3,(H,13,14)/b3-2+,5-4-,7-6+,11-10+
inchikey: ASTBWPMXGJCVAM-AKFQTPIDSA-N
monoisotopicmass: 1.9211503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179919
abbrev: FA 12:4

3,5,7,9,11-dodecapentaenoic acid
type: Class
formula: C12H14O2
inchi: InChI=1S/C12H14O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-10H,1,11H2,(H,13,14)/b4-3+,6-5+,8-7+,10-9+
inchikey: JSPNCMDQJNUPED-BYFNFPHLSA-N
monoisotopicmass: 1.9009938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187712
abbrev: FA 12:5

3E,5E-tridecadienoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h8-11H,2-7,12H2,1H3,(H,14,15)/b9-8+,11-10+
inchikey: PTYZGNZCLHAQEB-BNFZFUHLSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_73719
abbrev: FA 13:2

3Z,5E-tridecadienoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h8-11H,2-7,12H2,1H3,(H,14,15)/b9-8+,11-10-
inchikey: PTYZGNZCLHAQEB-OCBXPSTGSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185360
abbrev: FA 13:2

3E-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h11-12H,2-10,13H2,1H3,(H,15,16)/b12-11+
inchikey: KYQLBACAKNAOOC-VAWYXSNFSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179349
abbrev: FA 14:1

4Z-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10-11H,2-9,12-13H2,1H3,(H,15,16)/b11-10-
inchikey: CUVLOCDGQCUQSI-KHPPLWFESA-N
monoisotopicmass: 2.2619328E2
label: Tsuzuic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_171746
abbrev: FA 14:1

5Z-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,2-8,11-13H2,1H3,(H,15,16)/b10-9-
inchikey: AFGUVBVUFZMJMX-KTKRTIGZSA-N
monoisotopicmass: 2.2619328E2
label: Physeteric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_70716
abbrev: FA 14:1

7Z-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h7-8H,2-6,9-13H2,1H3,(H,15,16)/b8-7-
inchikey: ZVXDGKJSUPWREP-FPLPWBNLSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_53206
abbrev: FA 14:1

9E-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5+
inchikey: YWWVWXASSLXJHU-AATRIKPKSA-N
monoisotopicmass: 2.2619328E2
label: Myristelaidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_131381
abbrev: FA 14:1

10Z,12E-tetradecadienoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-5H,6-13H2,1H3,(H,15,16)/b3-2+,5-4-
inchikey: LVRDWSMHAOIPMQ-IAROGAJJSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196055
abbrev: FA 14:2

2E,4E-tetradecadienoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10-13H,2-9H2,1H3,(H,15,16)/b11-10+,13-12+
inchikey: WNLVXSRACLAFOL-AQASXUMVSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196054
abbrev: FA 14:2

3,4-tetradecadienoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10,12H,2-9,13H2,1H3,(H,15,16)
inchikey: PPGZINTUQYPGJL-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196057
abbrev: FA 14:2

3Z,5E-tetradecadienoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-12H,2-8,13H2,1H3,(H,15,16)/b10-9+,12-11-
inchikey: YRUMHTHCEZRHTN-PVHUKWJHSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185781
abbrev: FA 14:2

3Z,5Z-tetradecadienoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-12H,2-8,13H2,1H3,(H,15,16)/b10-9-,12-11-
inchikey: YRUMHTHCEZRHTN-BASFJDSNSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196056
abbrev: FA 14:2

5,8-tetradecadienoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,15,16)/b7-6+,10-9+
inchikey: HXHZGHRLVRFQDR-AVQMFFATSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_171772
abbrev: FA 14:2

5Z,8Z-tetradecadienoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,15,16)/b7-6-,10-9-
inchikey: HXHZGHRLVRFQDR-HZJYTTRNSA-N
monoisotopicmass: 2.2417763E2
label: Goshuyic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_70719
abbrev: FA 14:2

5,7,9,11,13-tetradecapentaenoic acid
type: Class
formula: C14H18O2
inchi: InChI=1S/C14H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-10H,1,11-13H2,(H,15,16)/b4-3+,6-5+,8-7+,10-9+
inchikey: LQROPCHYRPLGPB-BYFNFPHLSA-N
monoisotopicmass: 2.1813068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185526
abbrev: FA 14:5

10Z-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6H,2-4,7-14H2,1H3,(H,16,17)/b6-5-
inchikey: APXSAEQXOXTDAM-WAYWQWQTSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_75089
abbrev: FA 15:1

10E-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7H,2-5,8-15H2,1H3,(H,17,18)/b7-6+
inchikey: HZJHNXIAYMADBX-VOTSOKGWSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179827
abbrev: FA 16:1

11E-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5+
inchikey: JGMYDQCXGIMHLL-AATRIKPKSA-N
monoisotopicmass: 2.54224581E2
label: Lycopodic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196236
abbrev: FA 16:1

11Z-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5-
inchikey: JGMYDQCXGIMHLL-WAYWQWQTSA-N
monoisotopicmass: 2.54224581E2
label: cis-Palmitvaccenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_35464
abbrev: FA 16:1

13E-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4H,2,5-15H2,1H3,(H,17,18)/b4-3+
inchikey: UFRASUJYZLLIJC-ONEGZZNKSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179826
abbrev: FA 16:1

13Z-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4H,2,5-15H2,1H3,(H,17,18)/b4-3-
inchikey: UFRASUJYZLLIJC-ARJAWSKDSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165496
abbrev: FA 16:1

2Z-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14-
inchikey: ZVRMGCSSSYZGSM-PFONDFGASA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179828
abbrev: FA 16:1

3E-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h13-14H,2-12,15H2,1H3,(H,17,18)/b14-13+
inchikey: PCBKWKNYISJGPJ-BUHFOSPRSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_142241
abbrev: FA 16:1

6Z-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10-
inchikey: NNNVXFKZMRGJPM-KHPPLWFESA-N
monoisotopicmass: 2.54224581E2
label: Sapienic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_76244
equivalent class: SLM_000000550
abbrev: FA 16:1

10Z,12E-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-7H,2-3,8-15H2,1H3,(H,17,18)/b5-4+,7-6-
inchikey: POHNQQRJOMLPNT-DEQVHDEQSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186837
abbrev: FA 16:2

2E,4E-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/b13-12+,15-14+
inchikey: OOJGMLFHAQOYIL-SQIWNDBBSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196093
abbrev: FA 16:2

2E,4Z-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/b13-12-,15-14+
inchikey: OOJGMLFHAQOYIL-FSALDASDSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196090
abbrev: FA 16:2

3Z,9Z-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8,13-14H,2-6,9-12,15H2,1H3,(H,17,18)/b8-7-,14-13-
inchikey: AKJLYECXIBBTQR-WRKWTSPFSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196092
abbrev: FA 16:2

6,9-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8,10-11H,2-6,9,12-15H2,1H3,(H,17,18)/b8-7+,11-10+
inchikey: JZJWNDAFHKZSNQ-ZDVGBALWSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165479
abbrev: FA 16:2

6Z,9Z-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8,10-11H,2-6,9,12-15H2,1H3,(H,17,18)/b8-7-,11-10-
inchikey: JZJWNDAFHKZSNQ-NQLNTKRDSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165481
abbrev: FA 16:2

8Z,10Z-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-9H,2-5,10-15H2,1H3,(H,17,18)/b7-6-,9-8-
inchikey: RKRWQJWKOXDDSE-JPDBVBESSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196091
abbrev: FA 16:2

9Z,12Z-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,17,18)/b5-4-,8-7-
inchikey: RVEKLXYYCHAMDF-UTOQUPLUSA-N
monoisotopicmass: 2.5220893E2
label: Palmitolinoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77522
equivalent class: SLM_000001200
abbrev: FA 16:2

2E,6Z,8Z,12E-hexadecatetraenoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,17,18)/b5-4+,9-8-,11-10-,15-14+
inchikey: RJEBRGXXVDPTCM-LIJSHLLPSA-N
monoisotopicmass: 2.4817763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_177951
abbrev: FA 16:4

2E,6Z,8Z,12Z-hexadecatetraenoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,17,18)/b5-4-,9-8-,11-10-,15-14+
inchikey: RJEBRGXXVDPTCM-RIGZBRQFSA-N
monoisotopicmass: 2.4817763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196490
abbrev: FA 16:4

2Z,6Z,8Z,12E-hexadecatetraenoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,17,18)/b5-4+,9-8-,11-10-,15-14-
inchikey: RJEBRGXXVDPTCM-XGDNNFDWSA-N
monoisotopicmass: 2.4817763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196491
abbrev: FA 16:4

2Z,6Z,8Z,12Z-hexadecatetraenoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,17,18)/b5-4-,9-8-,11-10-,15-14-
inchikey: RJEBRGXXVDPTCM-RSQUJMLUSA-N
monoisotopicmass: 2.4817763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196489
abbrev: FA 16:4

10E-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,9-16H2,1H3,(H,18,19)/b8-7+
inchikey: GDTXICBNEOEPAZ-BQYQJAHWSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_75097
abbrev: FA 17:1

10Z-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,9-16H2,1H3,(H,18,19)/b8-7-
inchikey: GDTXICBNEOEPAZ-FPLPWBNLSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_75094
abbrev: FA 17:1

16-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2H,1,3-16H2,(H,18,19)
inchikey: KMWWFKLFHOTNEH-UHFFFAOYSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187522
abbrev: FA 17:1

2Z-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/b16-15-
inchikey: GEHPRJRWZDWFBJ-NXVVXOECSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196115
abbrev: FA 17:1

7Z-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h10-11H,2-9,12-16H2,1H3,(H,18,19)/b11-10-
inchikey: FJMPAYNWWWCODA-KHPPLWFESA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196117
abbrev: FA 17:1

8E-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h9-10H,2-8,11-16H2,1H3,(H,18,19)/b10-9+
inchikey: ZBIGLIMGCLJKHN-MDZDMXLPSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196116
abbrev: FA 17:1

8Z-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h9-10H,2-8,11-16H2,1H3,(H,18,19)/b10-9-
inchikey: ZBIGLIMGCLJKHN-KTKRTIGZSA-N
monoisotopicmass: 2.68240231E2
label: Civetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_78448
abbrev: FA 17:1

9E-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8+
inchikey: QSBYPNXLFMSGKH-CMDGGOBGSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_80550
abbrev: FA 17:1

13Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5-
inchikey: BDLLSHRIFPDGQB-WAYWQWQTSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_82617
abbrev: FA 18:1

15Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,5-17H2,1H3,(H,19,20)/b4-3-
inchikey: KSIKGJKZYDOVFA-ARJAWSKDSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196200
abbrev: FA 18:1

16Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3H,4-17H2,1H3,(H,19,20)/b3-2-
inchikey: DPUHOWDIWWPPIP-IHWYPQMZSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196199
abbrev: FA 18:1

17-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-17H2,(H,19,20)
inchikey: CYSXFFUIJWHWRH-UHFFFAOYSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_165456
abbrev: FA 18:1

3Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h15-16H,2-14,17H2,1H3,(H,19,20)/b16-15-
inchikey: DLPRXTUOPLIHNV-NXVVXOECSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196203
abbrev: FA 18:1

4Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-15H,2-13,16-17H2,1H3,(H,19,20)/b15-14-
inchikey: OBNDIDKDLXSSCB-PFONDFGASA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196202
abbrev: FA 18:1

5Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-12,15-17H2,1H3,(H,19,20)/b14-13-
inchikey: AQWHMKSIVLSRNY-YPKPFQOOSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196201
abbrev: FA 18:1

10E,14E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,19,20)/b5-4+,9-8+
inchikey: BLVGMDACRQJPKY-KQWYESAVSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_186839
abbrev: FA 18:2

10Z,14Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,19,20)/b5-4-,9-8-
inchikey: BLVGMDACRQJPKY-WPAMCMATSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_186883
abbrev: FA 18:2

11Z,14Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,7-8H,2-3,6,9-17H2,1H3,(H,19,20)/b5-4-,8-7-
inchikey: ACYNXSLKOYLYFV-UTOQUPLUSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196563
abbrev: FA 18:2

11Z,15Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,19,20)/b4-3-,8-7-
inchikey: HHELYEVVXBEXIZ-KPDBFRNYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196533
abbrev: FA 18:2

12E,16E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,6-7H,4-5,8-17H2,1H3,(H,19,20)/b3-2+,7-6+
inchikey: ZKLAMZVXHZVASN-BLWKUPHCSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187256
abbrev: FA 18:2

12Z,15Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7H,2,5,8-17H2,1H3,(H,19,20)/b4-3-,7-6-
inchikey: JVDHPAUNFBGCFT-CWWKMNTPSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_165453
abbrev: FA 18:2

13E,17-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,5-6H,1,3-4,7-17H2,(H,19,20)/b6-5+
inchikey: ZSCQSJYYQBIMGK-AATRIKPKSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_165454
abbrev: FA 18:2

13Z,16Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,5-6H,4,7-17H2,1H3,(H,19,20)/b3-2-,6-5-
inchikey: NWHQABJQXFAPON-QFBDUHRLSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196534
abbrev: FA 18:2

14Z,17-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,4-5H,1,3,6-17H2,(H,19,20)/b5-4+
inchikey: XUJZXUBHXZOWMW-SNAWJCMRSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196537
abbrev: FA 18:2

2,4-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)/b15-14+,17-16+
inchikey: ADHNUPOJJCKWRT-JLXBFWJWSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:2

2E,6E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13,16-17H,2-11,14-15H2,1H3,(H,19,20)/b13-12+,17-16+
inchikey: VXVWCUMIPQWFRF-CANNQBONSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196536
abbrev: FA 18:2

2Z,5Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14,16-17H,2-12,15H2,1H3,(H,19,20)/b14-13-,17-16-
inchikey: HTDYFMGWIACGSV-AUGURXLVSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196535
abbrev: FA 18:2

2Z,6Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13,16-17H,2-11,14-15H2,1H3,(H,19,20)/b13-12-,17-16-
inchikey: VXVWCUMIPQWFRF-NQJJCMTOSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196538
abbrev: FA 18:2

3E,7E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12,15-16H,2-10,13-14,17H2,1H3,(H,19,20)/b12-11+,16-15+
inchikey: UCMXZDHSKOOQEN-YBAIQQBHSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196540
abbrev: FA 18:2

3Z,12Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,15-16H,2-5,8-14,17H2,1H3,(H,19,20)/b7-6-,16-15-
inchikey: JSTMUVZUZPLTFI-OYAITDOQSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196539
abbrev: FA 18:2

3Z,6Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13,15-16H,2-11,14,17H2,1H3,(H,19,20)/b13-12-,16-15-
inchikey: VMZIKKGYJROZNC-QGLGPCELSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196544
abbrev: FA 18:2

3Z,7Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12,15-16H,2-10,13-14,17H2,1H3,(H,19,20)/b12-11-,16-15-
inchikey: UCMXZDHSKOOQEN-ATNUXVQMSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196543
abbrev: FA 18:2

4,9-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,14-15H,2-8,11-13,16-17H2,1H3,(H,19,20)/b10-9+,15-14+
inchikey: HQDZXXJLRBJIPD-ZNGCIPOTSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196542
abbrev: FA 18:2

4E,8E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11,14-15H,2-9,12-13,16-17H2,1H3,(H,19,20)/b11-10+,15-14+
inchikey: ZUJRIJVETNXFEO-RICRECKTSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196541
abbrev: FA 18:2

4Z,7Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12,14-15H,2-10,13,16-17H2,1H3,(H,19,20)/b12-11-,15-14-
inchikey: QKPOMFIVYLKGDE-HDXUUTQWSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196548
abbrev: FA 18:2

4Z,8Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11,14-15H,2-9,12-13,16-17H2,1H3,(H,19,20)/b11-10-,15-14-
inchikey: ZUJRIJVETNXFEO-JPTBNZNUSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196547
abbrev: FA 18:2

5,10-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9,13-14H,2-7,10-12,15-17H2,1H3,(H,19,20)/b9-8+,14-13+
inchikey: HRZZKTOXWMPYMT-VQDFZMDMSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196546
abbrev: FA 18:2

5,11-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,13-14H,2-6,9-12,15-17H2,1H3,(H,19,20)/b8-7+,14-13+
inchikey: GMEOMWBQHUIYIE-SCCLZRITSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196545
abbrev: FA 18:2

5,6-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12,14H,2-11,15-17H2,1H3,(H,19,20)
inchikey: YXJXBVWHSBEPDQ-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_24993
abbrev: FA 18:2

5E,9Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H,19,20)/b10-9-,14-13+
inchikey: DFJAXEWDHVOILU-MOWBSHMWSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196550
abbrev: FA 18:2

5Z,11Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,13-14H,2-6,9-12,15-17H2,1H3,(H,19,20)/b8-7-,14-13-
inchikey: GMEOMWBQHUIYIE-WRKWTSPFSA-N
monoisotopicmass: 2.80240231E2
label: Ephedrenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196549
abbrev: FA 18:2

5Z,8Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11,13-14H,2-9,12,15-17H2,1H3,(H,19,20)/b11-10-,14-13-
inchikey: UQQPKQIHIFHHKO-XVTLYKPTSA-N
monoisotopicmass: 2.80240231E2
label: Sebaleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_194480
abbrev: FA 18:2

5Z,9E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H,19,20)/b10-9+,14-13-
inchikey: DFJAXEWDHVOILU-OMRPVRGDSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196552
abbrev: FA 18:2

5Z,9Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H,19,20)/b10-9-,14-13-
inchikey: DFJAXEWDHVOILU-KWUOUXIESA-N
monoisotopicmass: 2.80240231E2
label: Taxoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_165493
abbrev: FA 18:2

6,11-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,12-13H,2-6,9-11,14-17H2,1H3,(H,19,20)/b8-7+,13-12+
inchikey: RTJZUCGIUVBZCN-GEJAPMDVSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196551
abbrev: FA 18:2

6E,10E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9,12-13H,2-7,10-11,14-17H2,1H3,(H,19,20)/b9-8+,13-12+
inchikey: VHWOFKOZZDNTLJ-AFAJWACHSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196555
abbrev: FA 18:2

6E,11Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,12-13H,2-6,9-11,14-17H2,1H3,(H,19,20)/b8-7-,13-12+
inchikey: RTJZUCGIUVBZCN-LQZWXTFHSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196554
abbrev: FA 18:2

6E,12E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,12-13H,2-5,8-11,14-17H2,1H3,(H,19,20)/b7-6+,13-12+
inchikey: MPYXXVUQSWUMGN-GYIPPJPDSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196553
abbrev: FA 18:2

6E,9E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,12-13H,2-8,11,14-17H2,1H3,(H,19,20)/b10-9+,13-12+
inchikey: ZMKDEQUXYDZSNN-OKLKQMLOSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_138083
abbrev: FA 18:2

6Z,11Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,12-13H,2-6,9-11,14-17H2,1H3,(H,19,20)/b8-7-,13-12-
inchikey: RTJZUCGIUVBZCN-QOTUMQCOSA-N
monoisotopicmass: 2.80240231E2
label: Cilienic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196557
abbrev: FA 18:2

6Z,9Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,12-13H,2-8,11,14-17H2,1H3,(H,19,20)/b10-9-,13-12-
inchikey: ZMKDEQUXYDZSNN-UTJQPWESSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_82749
equivalent class: SLM_000001064
abbrev: FA 18:2

7E,12E-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,11-12H,2-5,8-10,13-17H2,1H3,(H,19,20)/b7-6+,12-11+
inchikey: HHCDDEIDPPGDBH-PHFMIZANSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196556
abbrev: FA 18:2

7Z,10Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9,11-12H,2-7,10,13-17H2,1H3,(H,19,20)/b9-8-,12-11-
inchikey: UNQVCNJXEMDZNO-MURFETPASA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196561
abbrev: FA 18:2

7Z,11Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,11-12H,2-6,9-10,13-17H2,1H3,(H,19,20)/b8-7-,12-11-
inchikey: GCADTFSRGKGSJO-MQEUWQHPSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196560
abbrev: FA 18:2

8,11-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,10-11H,2-6,9,12-17H2,1H3,(H,19,20)/b8-7+,11-10+
inchikey: WBTBKRBXTLZUJG-ZDVGBALWSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196559
abbrev: FA 18:2

8,12-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,10-11H,2-5,8-9,12-17H2,1H3,(H,19,20)/b7-6+,11-10+
inchikey: FVIFMUSFIUXENC-MVQNEBOGSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196558
abbrev: FA 18:2

9,13-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6,9-10H,2-4,7-8,11-17H2,1H3,(H,19,20)/b6-5+,10-9+
inchikey: PTZHXFYJEGLBBA-QPHGKBKNSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196562
abbrev: FA 18:2

2E,9Z,12Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,16-17H,2-5,8,11-15H2,1H3,(H,19,20)/b7-6-,10-9-,17-16+
inchikey: VCVCZNVYBRBLHO-YGLXTWLWSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180179
abbrev: FA 18:3

5,8,11-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,10-11,13-14H,2-6,9,12,15-17H2,1H3,(H,19,20)/b8-7+,11-10+,14-13+
inchikey: OQKSACYFUKAOOJ-SPOHZTNBSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180182
abbrev: FA 18:3

5,9,12-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6+,10-9+,14-13+
inchikey: HXQHFNIKBKZGRP-JRVLCRGASA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180172
abbrev: FA 18:3

5Z,9Z,12E-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6+,10-9-,14-13-
inchikey: HXQHFNIKBKZGRP-RLCBDCDRSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180181
abbrev: FA 18:3

5Z,9Z,12Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6-,10-9-,14-13-
inchikey: HXQHFNIKBKZGRP-URPRIDOGSA-N
monoisotopicmass: 2.78224581E2
label: Pinolenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_86136
abbrev: FA 18:3

7E,9Z,12Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-12H,2-5,8,13-17H2,1H3,(H,19,20)/b7-6-,10-9-,12-11+
inchikey: RTILLKWKMLNKLK-JSHIYTDESA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180186
abbrev: FA 18:3

7Z,9Z,12Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-12H,2-5,8,13-17H2,1H3,(H,19,20)/b7-6-,10-9-,12-11-
inchikey: RTILLKWKMLNKLK-NOVKEFSLSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180185
abbrev: FA 18:3

9E,11Z,13Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7-,10-9+
inchikey: CUXYLFPMQMFGPL-YXABPGESSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180184
abbrev: FA 18:3

9E,12E,15Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6+,10-9+
inchikey: DTOSIQBPPRVQHS-YSFKBSJESA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180183
abbrev: FA 18:3

9E,12Z,15E-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6-,10-9+
inchikey: DTOSIQBPPRVQHS-BXPSWRNBSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180187
abbrev: FA 18:3

9E,12Z,15Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9+
inchikey: DTOSIQBPPRVQHS-FVCZIJCZSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_165491
abbrev: FA 18:3

9Z,12E,15E-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9-
inchikey: DTOSIQBPPRVQHS-KYNNUBNZSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180180
abbrev: FA 18:3

9Z,12E,15Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6+,10-9-
inchikey: DTOSIQBPPRVQHS-PCMISOECSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180189
abbrev: FA 18:3

9Z,12Z,15E-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6-,10-9-
inchikey: DTOSIQBPPRVQHS-NSAMXNATSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180188
abbrev: FA 18:3

5,8,11,14-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,7-8,10-11,13-14H,2-3,6,9,12,15-17H2,1H3,(H,19,20)/b5-4+,8-7+,11-10+,14-13+
inchikey: UCHYLNQKIYPHBX-ARQYDCTJSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_177985
abbrev: FA 18:4

5Z,9Z,12Z,15Z-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,13-14H,2,5,8,11-12,15-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,14-13-
inchikey: DNOBNGNBPVOMLW-XRPCLMINSA-N
monoisotopicmass: 2.7620893E2
label: Coniferonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_86135
abbrev: FA 18:4

5Z,8Z,11Z,14Z-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,7-8,10-11,13-14H,2-3,6,9,12,15-17H2,1H3,(H,19,20)/b5-4-,8-7-,11-10-,14-13-
inchikey: UCHYLNQKIYPHBX-GJDCDIHCSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

6Z,9Z,12Z,15Z-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-
inchikey: JIWBIWFOSCKQMA-LTKCOYKYSA-N
monoisotopicmass: 2.7620893E2
label: Stearidonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_32389
equivalent class: SLM_000001112
abbrev: FA 18:4

9Z,11Z,13E,15E-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-10H,2,11-17H2,1H3,(H,19,20)/b4-3+,6-5+,8-7-,10-9-
inchikey: IJTNSXPMYKJZPR-BEGPLMEHSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

3,6,9,12,15-octadecapentaenoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+,13-12+,16-15+
inchikey: LYJOUWBWJDKKEF-RCHUDCCISA-N
monoisotopicmass: 2.7419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:5

3Z,6Z,9Z,12Z,15Z-octadecapentaenoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-,16-15-
inchikey: LYJOUWBWJDKKEF-JLNKQSITSA-N
monoisotopicmass: 2.7419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:5

10E-nonadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/b10-9+
inchikey: BBOWBNGUEWHNQZ-MDZDMXLPSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187616
abbrev: FA 19:1

10Z-nonadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/b10-9-
inchikey: BBOWBNGUEWHNQZ-KTKRTIGZSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_83051
abbrev: FA 19:1

7E-nonadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h12-13H,2-11,14-18H2,1H3,(H,20,21)/b13-12+
inchikey: MBSJMRUSWQBXNI-OUKQBFOZSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196579
abbrev: FA 19:1

7Z-nonadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h12-13H,2-11,14-18H2,1H3,(H,20,21)/b13-12-
inchikey: MBSJMRUSWQBXNI-SEYXRHQNSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196578
abbrev: FA 19:1

10E,13E-nonadecadienoic acid
type: Class
formula: C19H34O2
inchi: InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,20,21)/b7-6+,10-9+
inchikey: FLYBGKXSHCVONZ-AVQMFFATSA-N
monoisotopicmass: 2.94255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:2

13-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7+
inchikey: URXZXNYJPAJJOQ-BQYQJAHWSA-N
monoisotopicmass: 3.10287181E2
label: 13E-eicosenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180279
abbrev: FA 20:1

13Z-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-
inchikey: URXZXNYJPAJJOQ-FPLPWBNLSA-N
monoisotopicmass: 3.10287181E2
label: Paullinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_134479
abbrev: FA 20:1

15-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h5-6H,2-4,7-19H2,1H3,(H,21,22)/b6-5+
inchikey: IOXXMKVPBSHVKL-AATRIKPKSA-N
monoisotopicmass: 3.10287181E2
label: 15E-eicosenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180281
abbrev: FA 20:1

15Z-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h5-6H,2-4,7-19H2,1H3,(H,21,22)/b6-5-
inchikey: IOXXMKVPBSHVKL-WAYWQWQTSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180280
abbrev: FA 20:1

5E-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h15-16H,2-14,17-19H2,1H3,(H,21,22)/b16-15+
inchikey: FPAQLJHSZVFKES-FOCLMDBBSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180278
abbrev: FA 20:1

5Z-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h15-16H,2-14,17-19H2,1H3,(H,21,22)/b16-15-
inchikey: FPAQLJHSZVFKES-NXVVXOECSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180277
abbrev: FA 20:1

8Z-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h12-13H,2-11,14-19H2,1H3,(H,21,22)/b13-12-
inchikey: INLBKXOFAJTNKG-SEYXRHQNSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180276
abbrev: FA 20:1

11Z,15Z-eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h5-6,9-10H,2-4,7-8,11-19H2,1H3,(H,21,22)/b6-5-,10-9-
inchikey: AQMJFJSWRDZFFQ-WBHJMADESA-N
monoisotopicmass: 3.08271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180355
abbrev: FA 20:2

5,11-Eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,15-16H,2-8,11-14,17-19H2,1H3,(H,21,22)/b10-9+,16-15+
inchikey: RCYNQXHBZULXMM-DSIBUQCCSA-N
monoisotopicmass: 3.08271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165473
abbrev: FA 20:2

7E,13E-Eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8,13-14H,2-6,9-12,15-19H2,1H3,(H,21,22)/b8-7+,14-13+
inchikey: YWBNXYNLHNWVRC-SCCLZRITSA-N
monoisotopicmass: 3.08271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180357
abbrev: FA 20:2

8,11-Eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13H,2-8,11,14-19H2,1H3,(H,21,22)/b10-9+,13-12+
inchikey: XUJWOMMOEOHPFP-OKLKQMLOSA-N
monoisotopicmass: 3.08271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180356
abbrev: FA 20:2

8Z,11Z-eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13H,2-8,11,14-19H2,1H3,(H,21,22)/b10-9-,13-12-
inchikey: XUJWOMMOEOHPFP-UTJQPWESSA-N
monoisotopicmass: 3.08271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_78706
equivalent class: SLM_000001065
abbrev: FA 20:2

11Z,14Z,17Z-eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
inchikey: AHANXAKGNAKFSK-PDBXOOCHSA-N
monoisotopicmass: 3.06255881E2
label: Dihomo-alpha-linolenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_53460
equivalent class: SLM_000001108
abbrev: FA 20:3

2E,4E,8Z-eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h12-13,16-19H,2-11,14-15H2,1H3,(H,21,22)/b13-12-,17-16+,19-18+
inchikey: YPZJEBFWHLRBCH-DKPJODBKSA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

5Z,11Z,14Z-eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11-14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,16-15-
inchikey: PRHHYVQTPBEDFE-URZBRJKDSA-N
monoisotopicmass: 3.06255881E2
label: Sciadonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_82832
abbrev: FA 20:3

5Z,8Z,11Z-eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10-9-,13-12-,16-15-
inchikey: UNSRRHDPHVZAHH-YOILPLPUSA-N
monoisotopicmass: 3.06255881E2
label: ETrE(5Z,8Z,11Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_72865
equivalent class: SLM_000001063
abbrev: FA 20:3

7,10,13-Eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8,10-11,13-14H,2-6,9,12,15-19H2,1H3,(H,21,22)/b8-7+,11-10+,14-13+
inchikey: KSDMISMEMOGBFU-SPOHZTNBSA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

7,11,14-Eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,13-14H,2-5,8,11-12,15-19H2,1H3,(H,21,22)/b7-6+,10-9+,14-13+
inchikey: PTZVBFWVXXLKST-JRVLCRGASA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165482
abbrev: FA 20:3

7Z,10Z,13Z-eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8,10-11,13-14H,2-6,9,12,15-19H2,1H3,(H,21,22)/b8-7-,11-10-,14-13-
inchikey: KSDMISMEMOGBFU-JPFHKJGASA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

7Z,11Z,14E-eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,13-14H,2-5,8,11-12,15-19H2,1H3,(H,21,22)/b7-6+,10-9-,14-13-
inchikey: PTZVBFWVXXLKST-RLCBDCDRSA-N
monoisotopicmass: 3.06255881E2
label: Bishomocolumbinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

7Z,11Z,14Z-eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,13-14H,2-5,8,11-12,15-19H2,1H3,(H,21,22)/b7-6-,10-9-,14-13-
inchikey: PTZVBFWVXXLKST-URPRIDOGSA-N
monoisotopicmass: 3.06255881E2
label: Bishomopinolenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

8Z,12E,14Z-eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-9,12-13H,2-5,10-11,14-19H2,1H3,(H,21,22)/b7-6-,9-8+,13-12-
inchikey: ZSWYXLJIFJJAFJ-FQMWOSCKSA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

4,7,10,13-Eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8,10-11,13-14,16-17H,2-6,9,12,15,18-19H2,1H3,(H,21,22)/b8-7+,11-10+,14-13+,17-16+
inchikey: YNVYKJQCWARJFA-SHDWVJIKSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188008
abbrev: FA 20:4

4Z,7Z,10Z,13Z-eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8,10-11,13-14,16-17H,2-6,9,12,15,18-19H2,1H3,(H,21,22)/b8-7-,11-10-,14-13-,17-16-
inchikey: YNVYKJQCWARJFA-ZKWNWVNESA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165472
abbrev: FA 20:4

4Z,8Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,16-17H,2-5,8,11,14-15,18-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,17-16-
inchikey: VXPSCCAXKVUSIT-KNBAIDPXSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

5,11,14,17-Eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+,16-15+
inchikey: JDKIKEYFSJUYJZ-MLPCWCQHSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

5,8,11,14-eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+
inchikey: YZXBAPSDXZZRGB-CGRWFSSPSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

5Z,11Z,14Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,16-15-
inchikey: JDKIKEYFSJUYJZ-OUJQXAOTSA-N
monoisotopicmass: 3.04240231E2
label: Juniperonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_82835
abbrev: FA 20:4

8Z,11Z,14Z,18Z-eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-3,6-7,9-10,12-13H,4-5,8,11,14-19H2,1H3,(H,21,22)/b3-2-,7-6-,10-9-,13-12-
inchikey: VSFVYNOGNSVEMY-QUPQDVRGSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_193191
abbrev: FA 20:4

2E,5Z,8Z,11Z,14Z-eicosapentaenoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-,19-18+
inchikey: IFPCWRDOHFTYMB-BWGKZPQXSA-N
monoisotopicmass: 3.02224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165460
abbrev: FA 20:5

5E,8Z,11Z,14Z,16Z-eicosapentaenoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h4-7,9-10,12-13,15-16H,2-3,8,11,14,17-19H2,1H3,(H,21,22)/b5-4-,7-6-,10-9-,13-12-,16-15+
inchikey: HXWJFEZDFPRLBG-SPDOGPIASA-N
monoisotopicmass: 3.02224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:5

12Z-heneicosenoic acid
type: Class
formula: C21H40O2
inchikey: VXCUECWODRDENC-KTKRTIGZSA-N
monoisotopicmass: 3.24302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187962
abbrev: FA 21:1

12Z,15Z-heneicosadienoic acid
type: Class
formula: C21H38O2
inchikey: TZOLQRQTGDCGPQ-HZJYTTRNSA-N
monoisotopicmass: 3.22287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187490
abbrev: FA 21:2

11E-docosenoic acid
type: Class
formula: C22H42O2
inchikey: KJDZDTDNIULJBE-VAWYXSNFSA-N
monoisotopicmass: 3.38318481E2
label: Cetelaidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180019
abbrev: FA 22:1

15-docosenoic acid
type: Class
formula: C22H42O2
inchikey: KPGGPQIHJCHVLZ-BQYQJAHWSA-N
monoisotopicmass: 3.38318481E2
label: 15E-docosenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180035
abbrev: FA 22:1

15Z-docosenoic acid
type: Class
formula: C22H42O2
inchikey: KPGGPQIHJCHVLZ-FPLPWBNLSA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180034
abbrev: FA 22:1

19Z-docosenoic acid
type: Class
formula: C22H42O2
inchikey: ZGJQAPUAARZOCF-ARJAWSKDSA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180033
abbrev: FA 22:1

5Z-docosenoic acid
type: Class
formula: C22H42O2
inchikey: RFCSPHPIGYWVCG-ZCXUNETKSA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180036
abbrev: FA 22:1

13Z,16Z-docosadienoic acid
type: Class
formula: C22H40O2
inchikey: HVGRZDASOHMCSK-HZJYTTRNSA-N
monoisotopicmass: 3.36302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_75117
equivalent class: SLM_000001120
abbrev: FA 22:2

5Z,13Z-docosadienoic acid
type: Class
formula: C22H40O2
inchikey: HVHVBKMJDJLCEQ-XINWAFBYSA-N
monoisotopicmass: 3.36302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:2

13,16,19-docosatrienoic acid
type: Class
formula: C22H38O2
inchikey: WBBQTNCISCKUMU-IUQGRGSQSA-N
monoisotopicmass: 3.34287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_80549
abbrev: FA 22:3

13Z,16Z,19Z-docosatrienoic acid
type: Class
formula: C22H38O2
inchikey: WBBQTNCISCKUMU-PDBXOOCHSA-N
monoisotopicmass: 3.34287181E2
label: DTrE
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77807
abbrev: FA 22:3

3Z,9Z,15Z-docosatrienoic acid
type: Class
formula: C22H38O2
inchikey: YRJWZKBYRFAIBR-GFEMGRSKSA-N
monoisotopicmass: 3.34287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187955
abbrev: FA 22:3

5Z,11Z,17Z-docosatrienoic acid
type: Class
formula: C22H38O2
inchikey: WFZRFURXWIWUMA-CTUPJDJCSA-N
monoisotopicmass: 3.34287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:3

7Z,10Z,13Z-docosatrienoic acid
type: Class
formula: C22H38O2
inchikey: OEPMAZVWYGAFLM-YOILPLPUSA-N
monoisotopicmass: 3.34287181E2
label: Dihomo Mead's acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:3

14E-tricosenoic acid
type: Class
formula: C23H44O2
inchikey: BRCMIDDAOIVEAZ-MDZDMXLPSA-N
monoisotopicmass: 3.52334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188090
abbrev: FA 23:1

14Z-tricosenoic acid
type: Class
formula: C23H44O2
inchikey: BRCMIDDAOIVEAZ-KTKRTIGZSA-N
monoisotopicmass: 3.52334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 23:1

16Z-tricosenoic acid
type: Class
formula: C23H44O2
inchikey: WJUFVBCUBJGBER-FPLPWBNLSA-N
monoisotopicmass: 3.52334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 23:1

17Z-tricosenoic acid
type: Class
formula: C23H44O2
inchikey: FIBGZVSOAZMXHT-SREVYHEPSA-N
monoisotopicmass: 3.52334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 23:1

18Z-tricosenoic acid
type: Class
formula: C23H44O2
inchikey: BSDQMUMDKOWNMX-WAYWQWQTSA-N
monoisotopicmass: 3.52334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 23:1

5,9-tetracosadienoic acid
type: Class
formula: C24H44O2
inchikey: OVQSZVCJOZKJGA-LMOVRVBNSA-N
monoisotopicmass: 3.64334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_169210
abbrev: FA 24:2

16Z-pentacosenoic acid
type: Class
formula: C25H48O2
inchikey: QIVQYKLZAIRQLU-KTKRTIGZSA-N
monoisotopicmass: 3.80365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187923
abbrev: FA 25:1

17Z-pentacosenoic acid
type: Class
formula: C25H48O2
inchikey: CNSUGAOPCQLYKZ-HJWRWDBZSA-N
monoisotopicmass: 3.80365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 25:1

18Z-pentacosenoic acid
type: Class
formula: C25H48O2
inchikey: QCAVRTSKUQMCEY-FPLPWBNLSA-N
monoisotopicmass: 3.80365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187952
abbrev: FA 25:1

19Z-pentacosenoic acid
type: Class
formula: C25H48O2
inchikey: BMOOMHHTNKOYPX-SREVYHEPSA-N
monoisotopicmass: 3.80365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 25:1

17-hexacosenoic acid
type: Class
formula: C26H50O2
inchikey: RQIDQEBURXNDKG-MDZDMXLPSA-N
monoisotopicmass: 3.94381081E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:1

9Z-hexacosenoic acid
type: Class
formula: C26H50O2
inchikey: WCVLVNLRVRJFLN-ZCXUNETKSA-N
monoisotopicmass: 3.94381081E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_82836
abbrev: FA 26:1

5,9-hexacosadienoic acid
type: Class
formula: C26H48O2
inchikey: IEXIHWCBQMQDHC-KEIUHOJNSA-N
monoisotopicmass: 3.92365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_177019
abbrev: FA 26:2

5Z,9Z-hexacosadienoic acid
type: Class
formula: C26H48O2
inchikey: IEXIHWCBQMQDHC-BJVJUIIASA-N
monoisotopicmass: 3.92365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_86419
abbrev: FA 26:2

5,9,17-hexacosatrienoic acid
type: Class
formula: C26H46O2
inchikey: YZGHHOSIGGODQN-OWWJQZNRSA-N
monoisotopicmass: 3.90349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_193346
abbrev: FA 26:3

5,9,19-hexacosatrienoic acid
type: Class
formula: C26H46O2
inchikey: AVXZCQUJHUWUHY-NJRCAOQKSA-N
monoisotopicmass: 3.90349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:3

5Z,9Z,17Z-hexacosatrienoic acid
type: Class
formula: C26H46O2
inchikey: YZGHHOSIGGODQN-DSVTWUIQSA-N
monoisotopicmass: 3.90349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:3

5Z,9Z,19Z-hexacosatrienoic acid
type: Class
formula: C26H46O2
inchikey: AVXZCQUJHUWUHY-STAGDXFWSA-N
monoisotopicmass: 3.90349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:3

20Z-heptacosenoic acid
type: Class
formula: C27H52O2
inchikey: IBMXIRMZAXDICC-FPLPWBNLSA-N
monoisotopicmass: 4.08396731E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187196
abbrev: FA 27:1

21Z-octacosenoic acid
type: Class
formula: C28H54O2
inchikey: CAALPBCGPHIIHA-FPLPWBNLSA-N
monoisotopicmass: 4.22412381E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 28:1

23Z-octacosenoic acid
type: Class
formula: C28H54O2
inchikey: DRGWDEZYUAKKRZ-WAYWQWQTSA-N
monoisotopicmass: 4.22412381E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 28:1

9Z-octacosenoic acid
type: Class
formula: C28H54O2
inchikey: HNRCRTUMPOEQGL-VXPUYCOJSA-N
monoisotopicmass: 4.22412381E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 28:1

3,7-dimethyl-2Z,6-octadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7-
inchikey: ZHYZQXUYZJNEHD-CLFYSBASSA-N
monoisotopicmass: 1.6811503E2
label: Nerolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195801
abbrev: FA 10:2

4Z,7-octadienoic acid
type: Class
formula: C8H12O2
inchi: InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2,4-5H,1,3,6-7H2,(H,9,10)/b5-4-
inchikey: DANMCTRTXMRTRY-PLNGDYQASA-N
monoisotopicmass: 1.4008373E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195731
abbrev: FA 8:2

5,7-octadienoic acid
type: Class
formula: C8H12O2
inchi: InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-4H,1,5-7H2,(H,9,10)/b4-3+
inchikey: TXORZOOFFDVXQY-ONEGZZNKSA-N
monoisotopicmass: 1.4008373E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_137707
abbrev: FA 8:2

2E-nonenoic acid
type: Class
formula: C9H16O2
inchi: InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+
inchikey: ADLXTJMPCFOTOO-BQYQJAHWSA-N
monoisotopicmass: 1.5611503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_143910
abbrev: FA 9:1

3Z-nonenoic acid
type: Class
formula: C9H16O2
inchi: InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h6-7H,2-5,8H2,1H3,(H,10,11)/b7-6-
inchikey: ZBPYTVBKHKUNHG-SREVYHEPSA-N
monoisotopicmass: 1.5611503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195759
abbrev: FA 9:1

4E-nonenoic acid
type: Class
formula: C9H16O2
inchi: InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h5-6H,2-4,7-8H2,1H3,(H,10,11)/b6-5+
inchikey: HVCNEOVTZJYUAI-AATRIKPKSA-N
monoisotopicmass: 1.5611503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195758
abbrev: FA 9:1

6E-nonenoic acid
type: Class
formula: C9H16O2
inchi: InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h3-4H,2,5-8H2,1H3,(H,10,11)/b4-3+
inchikey: ZPSOISAMGWYNQX-ONEGZZNKSA-N
monoisotopicmass: 1.5611503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_183587
abbrev: FA 9:1

2,6-nonadienoic acid
type: Class
formula: C9H14O2
inchi: InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h3-4,7-8H,2,5-6H2,1H3,(H,10,11)/b4-3+,8-7+
inchikey: VCXVRGHERCHZLW-DYWGDJMRSA-N
monoisotopicmass: 1.5409938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165458
abbrev: FA 9:2

2E,6Z-nonadienoic acid
type: Class
formula: C9H14O2
inchi: InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h3-4,7-8H,2,5-6H2,1H3,(H,10,11)/b4-3-,8-7+
inchikey: VCXVRGHERCHZLW-ODYTWBPASA-N
monoisotopicmass: 1.5409938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180445
abbrev: FA 9:2

2Z,4E-nonadienoic acid
type: Class
formula: C9H14O2
inchi: InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h5-8H,2-4H2,1H3,(H,10,11)/b6-5+,8-7-
inchikey: YAWXLPDXHPHGPX-MDAAKZFYSA-N
monoisotopicmass: 1.5409938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180444
abbrev: FA 9:2

5,7-nonadienoic acid
type: Class
formula: C9H14O2
inchi: InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-5H,6-8H2,1H3,(H,10,11)/b3-2+,5-4+
inchikey: MBFQFNUNKGVKRZ-MQQKCMAXSA-N
monoisotopicmass: 1.5409938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165474
abbrev: FA 9:2

3,5-hexadienoic acid
type: Class
formula: C6H8O2
inchi: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-4H,1,5H2,(H,7,8)/b4-3+
inchikey: KRMCNXUYEWISGE-ONEGZZNKSA-N
monoisotopicmass: 1.1205243E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165461
abbrev: FA 6:2

4Z-heptenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)/b4-3-
inchikey: KFXPOIKSDYRVKS-ARJAWSKDSA-N
monoisotopicmass: 1.2808373E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179463
abbrev: FA 7:1

6-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-11,14-17H2,1H3,(H,19,20)
inchikey: GVZXZHWIIXHZOB-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
label: Tariric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_38362
abbrev: FA 18:2

8-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-9,12-17H2,1H3,(H,19,20)
inchikey: UMMVRDLPKAVUII-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196515
abbrev: FA 18:2

9-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)
inchikey: RGTIBVZDHOMOKC-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
label: Stearolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_28801
abbrev: FA 18:2

2,4-decadiynoic acid
type: Class
formula: C10H12O2
inchi: InChI=1S/C10H12O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-5H2,1H3,(H,11,12)
inchikey: KXUDZZUURXIMDW-UHFFFAOYSA-N
monoisotopicmass: 1.6408373E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180413
abbrev: FA 10:4

3-decynoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-6,9H2,1H3,(H,11,12)
inchikey: KIZIQHLTPZNNRL-UHFFFAOYSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195805
abbrev: FA 10:2

4-decynoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-5,8-9H2,1H3,(H,11,12)
inchikey: CUNRFIVIXJBVSE-UHFFFAOYSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195804
abbrev: FA 10:2

5-decynoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-4,7-9H2,1H3,(H,11,12)
inchikey: JPJPEWLGJVCQDS-UHFFFAOYSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195806
abbrev: FA 10:2

6-decynoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,6-9H2,1H3,(H,11,12)
inchikey: XIUHDBVNWYNTKY-UHFFFAOYSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195803
abbrev: FA 10:2

7-decynoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2,5-9H2,1H3,(H,11,12)
inchikey: CGCUYMJELYAFRU-UHFFFAOYSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195802
abbrev: FA 10:2

8-decynoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-9H2,1H3,(H,11,12)
inchikey: NUAZJYOKCYOKIN-UHFFFAOYSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195808
abbrev: FA 10:2

9-decynoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h1H,3-9H2,(H,11,12)
inchikey: KHOZXYSECXUORA-UHFFFAOYSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195807
abbrev: FA 10:2

5,11-dodecadiynoic acid
type: Class
formula: C12H16O2
inchi: InChI=1S/C12H16O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h1H,3-6,9-11H2,(H,13,14)
inchikey: MZZDCNPISCZAJH-UHFFFAOYSA-N
monoisotopicmass: 1.9211503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_137710
abbrev: FA 12:4

5,8,11-dodecatriynoic acid
type: Class
formula: C12H12O2
inchi: InChI=1S/C12H12O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h1H,3,6,9-11H2,(H,13,14)
inchikey: SGEFOJVMNSQUFC-UHFFFAOYSA-N
monoisotopicmass: 1.8808373E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_137711
abbrev: FA 12:6

3-dodecynoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-8,11H2,1H3,(H,13,14)
inchikey: ANKCBJRFNIWGKQ-UHFFFAOYSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165464
abbrev: FA 12:2

4-dodecynoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-7,10-11H2,1H3,(H,13,14)
inchikey: BVRNSWNGCXNAJN-UHFFFAOYSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165469
abbrev: FA 12:2

5-dodecynoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-6,9-11H2,1H3,(H,13,14)
inchikey: WURNVWHUPKLQLB-UHFFFAOYSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195920
abbrev: FA 12:2

6-dodecynoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-5,8-11H2,1H3,(H,13,14)
inchikey: SHALFFFFWBCVTE-UHFFFAOYSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195919
abbrev: FA 12:2

7-dodecynoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-4,7-11H2,1H3,(H,13,14)
inchikey: PWFWYJYJCDMRTO-UHFFFAOYSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195918
abbrev: FA 12:2

8-dodecynoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-3,6-11H2,1H3,(H,13,14)
inchikey: SGUNFKQJWPYUMV-UHFFFAOYSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195917
abbrev: FA 12:2

9-dodecynoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2,5-11H2,1H3,(H,13,14)
inchikey: HYOZJFRCDNPNCU-UHFFFAOYSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165490
abbrev: FA 12:2

10-dodecynoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-11H2,1H3,(H,13,14)
inchikey: YNWDMJAISSCMNC-UHFFFAOYSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195922
abbrev: FA 12:2

11-dodecynoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h1H,3-11H2,(H,13,14)
inchikey: VEWMMYQRMAYPIE-UHFFFAOYSA-N
monoisotopicmass: 1.9614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195921
abbrev: FA 12:2

10E,16-heptadecadien-8-ynoic acid
type: Class
formula: C17H26O2
inchi: InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2,7-8H,1,3-6,11-16H2,(H,18,19)/b8-7+
inchikey: YABWMILQFXOECJ-BQYQJAHWSA-N
monoisotopicmass: 2.6219328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_184143
abbrev: FA 17:4

5,8-heptadecadiynoic acid
type: Class
formula: C17H26O2
inchi: InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-8,11,14-16H2,1H3,(H,18,19)
inchikey: SQOSYCBELINRLS-UHFFFAOYSA-N
monoisotopicmass: 2.6219328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:4

6,9-heptadecadiynoic acid
type: Class
formula: C17H26O2
inchi: InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-7,10,13-16H2,1H3,(H,18,19)
inchikey: ATMMZSXCKJDWSQ-UHFFFAOYSA-N
monoisotopicmass: 2.6219328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:4

7,10-heptadecadiynoic acid
type: Class
formula: C17H26O2
inchi: InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-6,9,12-16H2,1H3,(H,18,19)
inchikey: QOYXWEKJKKTXDY-UHFFFAOYSA-N
monoisotopicmass: 2.6219328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_190723
abbrev: FA 17:4

5,8,11-heptadecatriynoic acid
type: Class
formula: C17H22O2
inchi: InChI=1S/C17H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-5,8,11,14-16H2,1H3,(H,18,19)
inchikey: NZSGEQZZLDDGIV-UHFFFAOYSA-N
monoisotopicmass: 2.5816198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187199
abbrev: FA 17:6

3-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h14-15H,2-13,16H2,1H3,(H,18,19)/b15-14+
inchikey: HPCIBDOHYQNJCA-CCEZHUSRSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196114
abbrev: FA 17:1

7-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h10-11H,2-9,12-16H2,1H3,(H,18,19)/b11-10+
inchikey: FJMPAYNWWWCODA-ZHACJKMWSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196113
abbrev: FA 17:1

10E-heptadecen-8-ynoic acid
type: Class
formula: C17H28O2
inchi: InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,11-16H2,1H3,(H,18,19)/b8-7+
inchikey: LRDHPEKBQXDTLO-BQYQJAHWSA-N
monoisotopicmass: 2.6420893E2
label: Pyrulic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187142
abbrev: FA 17:3

7-heptadecynoic acid
type: Class
formula: C17H30O2
inchi: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-9,12-16H2,1H3,(H,18,19)
inchikey: YHRWLGMHYITRRJ-UHFFFAOYSA-N
monoisotopicmass: 2.66224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187284
abbrev: FA 17:2

8-heptadecynoic acid
type: Class
formula: C17H30O2
inchi: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-8,11-16H2,1H3,(H,18,19)
inchikey: JXFYGWGDTRNNEQ-UHFFFAOYSA-N
monoisotopicmass: 2.66224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:2

9-heptadecynoic acid
type: Class
formula: C17H30O2
inchi: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-7,10-16H2,1H3,(H,18,19)
inchikey: OIDILZDVQSVDKF-UHFFFAOYSA-N
monoisotopicmass: 2.66224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_190380
abbrev: FA 17:2

12-heptadecynoic acid
type: Class
formula: C17H30O2
inchi: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-4,7-16H2,1H3,(H,18,19)
inchikey: IBUAUJXYADRLIN-UHFFFAOYSA-N
monoisotopicmass: 2.66224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_191237
abbrev: FA 17:2

16-heptadecynoic acid
type: Class
formula: C17H30O2
inchi: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h1H,3-16H2,(H,18,19)
inchikey: RNSFDLGSPZXGGP-UHFFFAOYSA-N
monoisotopicmass: 2.66224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187945
abbrev: FA 17:2

3-heptynoic acid
type: Class
formula: C7H10O2
inchi: InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h2-3,6H2,1H3,(H,8,9)
inchikey: CVEHSFVOOYBVIX-UHFFFAOYSA-N
monoisotopicmass: 1.2606808E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188196
abbrev: FA 7:2

4-heptynoic acid
type: Class
formula: C7H10O2
inchi: InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h2,5-6H2,1H3,(H,8,9)
inchikey: RMARLPSMJOHGLI-UHFFFAOYSA-N
monoisotopicmass: 1.2606808E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165470
abbrev: FA 7:2

6-heptynoic acid
type: Class
formula: C7H10O2
inchi: InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h1H,3-6H2,(H,8,9)
inchikey: OFCPMJGTZUVUSM-UHFFFAOYSA-N
monoisotopicmass: 1.2606808E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_184202
abbrev: FA 7:2

3,9-hexadecadiynoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-6,9-12,15H2,1H3,(H,17,18)
inchikey: FMOJTNMSVADPTA-UHFFFAOYSA-N
monoisotopicmass: 2.4817763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_184464
abbrev: FA 16:4

7,10-hexadecadiynoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-5,8,11-15H2,1H3,(H,17,18)
inchikey: GBPLHEVQWNMCPB-UHFFFAOYSA-N
monoisotopicmass: 2.4817763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_173175
abbrev: FA 16:4

8,10-hexadecadiynoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-5,10-15H2,1H3,(H,17,18)
inchikey: YVVALSGUCTYOJK-UHFFFAOYSA-N
monoisotopicmass: 2.4817763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_183598
abbrev: FA 16:4

2-hexadecynoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-13H2,1H3,(H,17,18)
inchikey: MECFGCCEVOFCNS-UHFFFAOYSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196088
abbrev: FA 16:2

4-hexadecynoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-11,14-15H2,1H3,(H,17,18)
inchikey: RAFYBBFFLHLMJT-UHFFFAOYSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196089
abbrev: FA 16:2

7-hexadecynoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-8,11-15H2,1H3,(H,17,18)
inchikey: XNLVWARRDCVUBL-UHFFFAOYSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_189765
abbrev: FA 16:2

10-hexadecynoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-5,8-15H2,1H3,(H,17,18)
inchikey: RRBRZNZKFJVWNW-UHFFFAOYSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186926
abbrev: FA 16:2

3-hexynoic acid
type: Class
formula: C6H8O2
inchi: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2,5H2,1H3,(H,7,8)
inchikey: JHBKYZNFFMIFDA-UHFFFAOYSA-N
monoisotopicmass: 1.1205243E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 6:2

4-hexynoic acid
type: Class
formula: C6H8O2
inchi: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h4-5H2,1H3,(H,7,8)
inchikey: VTZDPQGGOUEESD-UHFFFAOYSA-N
monoisotopicmass: 1.1205243E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187067
abbrev: FA 6:2

5-hexynoic acid
type: Class
formula: C6H8O2
inchi: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)
inchikey: VPFMEXRVUOPYRG-UHFFFAOYSA-N
monoisotopicmass: 1.1205243E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_73511
abbrev: FA 6:2

10,13-nonadecadiynoic acid
type: Class
formula: C19H30O2
inchi: InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-5,8,11-18H2,1H3,(H,20,21)
inchikey: RIYSVUPCBKGOGV-UHFFFAOYSA-N
monoisotopicmass: 2.90224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:4

8,11,14-nonadecatriynoic acid
type: Class
formula: C19H26O2
inchi: InChI=1S/C19H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-4,7,10,13-18H2,1H3,(H,20,21)
inchikey: KSWMOGCZSMSPAX-UHFFFAOYSA-N
monoisotopicmass: 2.8619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_137767
abbrev: FA 19:6

18-nonadecynoic acid
type: Class
formula: C19H34O2
inchi: InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h1H,3-18H2,(H,20,21)
inchikey: KZVSOXSKIQOJLZ-UHFFFAOYSA-N
monoisotopicmass: 2.94255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186571
abbrev: FA 19:2

2-nonynoic acid
type: Class
formula: C9H14O2
inchi: InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-6H2,1H3,(H,10,11)
inchikey: ZAWLBSATNLQTON-UHFFFAOYSA-N
monoisotopicmass: 1.5409938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180448
abbrev: FA 9:2

4-nonynoic acid
type: Class
formula: C9H14O2
inchi: InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-4,7-8H2,1H3,(H,10,11)
inchikey: LWMGSJYVDCEMDH-UHFFFAOYSA-N
monoisotopicmass: 1.5409938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180447
abbrev: FA 9:2

5-nonynoic acid
type: Class
formula: C9H14O2
inchi: InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-3,6-8H2,1H3,(H,10,11)
inchikey: GIMQQWKASGCRDK-UHFFFAOYSA-N
monoisotopicmass: 1.5409938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180446
abbrev: FA 9:2

6-nonynoic acid
type: Class
formula: C9H14O2
inchi: InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2,5-8H2,1H3,(H,10,11)
inchikey: JYHVTTAHMRXBQX-UHFFFAOYSA-N
monoisotopicmass: 1.5409938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180450
abbrev: FA 9:2

7-nonynoic acid
type: Class
formula: C9H14O2
inchi: InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h4-8H2,1H3,(H,10,11)
inchikey: XHWZIVIBBICWQB-UHFFFAOYSA-N
monoisotopicmass: 1.5409938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180449
abbrev: FA 9:2

8-nonynoic acid
type: Class
formula: C9H14O2
inchi: InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h1H,3-8H2,(H,10,11)
inchikey: NLRIJHGYFNZMGB-UHFFFAOYSA-N
monoisotopicmass: 1.5409938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_137768
abbrev: FA 9:2

13Z,17-Octadecadiene-9,11-diynoic acid
type: Class
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,5-6H,1,3-4,11-17H2,(H,19,20)/b6-5-
inchikey: GYLJVPBWGZUNMB-WAYWQWQTSA-N
monoisotopicmass: 2.7217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187393
abbrev: FA 18:6

11E,13E-octadecadien-9-ynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-8H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+
inchikey: ONYHYSLZNLJFHX-BSWSSELBSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

2,5-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-12,15H2,1H3,(H,19,20)
inchikey: NFCMYYTVFCALRH-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

2,6-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-11,14-15H2,1H3,(H,19,20)
inchikey: HWFDGMJFXCTDJG-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

2,7-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-10,13-15H2,1H3,(H,19,20)
inchikey: WOSPAZIVFDEIQC-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

3,6-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-11,14,17H2,1H3,(H,19,20)
inchikey: RJRKSJOZHKLGBL-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_165462
abbrev: FA 18:4

3,7-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-10,13-14,17H2,1H3,(H,19,20)
inchikey: BXKXNRAEEDHUMI-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

3,8-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-9,12-14,17H2,1H3,(H,19,20)
inchikey: FDBNNFPVUKARAN-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

4,6-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-11,16-17H2,1H3,(H,19,20)
inchikey: RGZWZLKPKGMDHL-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

4,7-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-10,13,16-17H2,1H3,(H,19,20)
inchikey: JSTBIUQACALUMP-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

4,8-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-9,12-13,16-17H2,1H3,(H,19,20)
inchikey: YZDIRPUOQIVUSQ-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

4,9-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-13,16-17H2,1H3,(H,19,20)
inchikey: GUABOZSBYLESTL-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

5,7-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-10,15-17H2,1H3,(H,19,20)
inchikey: VTTZLZZKHKSOGQ-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_186290
abbrev: FA 18:4

5,8-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-9,12,15-17H2,1H3,(H,19,20)
inchikey: MHMJNTYERCHXIG-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

5,9-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-12,15-17H2,1H3,(H,19,20)
inchikey: HWCVHTFNKLJJOX-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

5,10-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-7,10-12,15-17H2,1H3,(H,19,20)
inchikey: KZXQAJGXSHZKBP-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

5,12-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-12,15-17H2,1H3,(H,19,20)
inchikey: BUXCSJDWVXTDJU-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

6,8-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-9,14-17H2,1H3,(H,19,20)
inchikey: NEJYDLCCBBXZFL-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

6,9-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11,14-17H2,1H3,(H,19,20)
inchikey: OPCJGOAJOMSTDL-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

6,10-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-7,10-11,14-17H2,1H3,(H,19,20)
inchikey: PHGMAGAJZJGCBD-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

6,11-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-6,9-11,14-17H2,1H3,(H,19,20)
inchikey: AXYITESCXIMQFI-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

6,12-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-11,14-17H2,1H3,(H,19,20)
inchikey: NZILIUHFHRGRCI-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

7,9-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,13-17H2,1H3,(H,19,20)
inchikey: LDZUDUYCHODRLO-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

7,10-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-7,10,13-17H2,1H3,(H,19,20)
inchikey: BYQKSGMKNWVMLG-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

7,11-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-6,9-10,13-17H2,1H3,(H,19,20)
inchikey: MZLHSGZHMBVBEH-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

7,12-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-10,13-17H2,1H3,(H,19,20)
inchikey: ROLICKMUZJIMHZ-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

8,10-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-7,12-17H2,1H3,(H,19,20)
inchikey: JRBUVHZXBJFVBZ-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_165484
abbrev: FA 18:4

8,11-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-6,9,12-17H2,1H3,(H,19,20)
inchikey: LYBSSOSQYBXSJT-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

8,12-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-9,12-17H2,1H3,(H,19,20)
inchikey: MEJYPUUEPZCBCO-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

9,11-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-6,11-17H2,1H3,(H,19,20)
inchikey: KRKKLNBMQJXYTE-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

9,12-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8,11-17H2,1H3,(H,19,20)
inchikey: KDYILQLPKVZDGB-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_142250
abbrev: FA 18:4

9,13-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-4,7-8,11-17H2,1H3,(H,19,20)
inchikey: HWLHUMZSJBFKMO-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

10,12-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,10-17H2,1H3,(H,19,20)
inchikey: WNNYSRHBDYRXCH-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_32411
abbrev: FA 18:4

10,13-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-4,7,10-17H2,1H3,(H,19,20)
inchikey: KHRMBDFLKOJUOF-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

10,14-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,6-7,10-17H2,1H3,(H,19,20)
inchikey: VDKBUECZBKBXQU-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

11,14-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,6,9-17H2,1H3,(H,19,20)
inchikey: QNHHXLZCDIPCSL-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

11,15-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,5-6,9-17H2,1H3,(H,19,20)
inchikey: YOQIENDWPOTTQW-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

12,14-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,8-17H2,1H3,(H,19,20)
inchikey: WSAFAXYKIFSAKZ-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
label: Macrocarpic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

12,15-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,5,8-17H2,1H3,(H,19,20)
inchikey: VSLXDLSYRQJCDS-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

12,16-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,8-17H2,1H3,(H,19,20)
inchikey: DJPLPMYJGXPAED-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

13,16-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4,7-17H2,1H3,(H,19,20)
inchikey: FOZLHZDGHRDQKE-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

13,17-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-4,7-17H2,(H,19,20)
inchikey: CRHGIPODUYXPAD-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

14,17-octadecadiynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3,6-17H2,(H,19,20)
inchikey: UNRCHVBFSOJCHC-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_185094
abbrev: FA 18:4

5,8,11-octadecatriynoic acid
type: Class
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-6,9,12,15-17H2,1H3,(H,19,20)
inchikey: JZJQZDPGIZQSEA-UHFFFAOYSA-N
monoisotopicmass: 2.7217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:6

6,9,12-octadecatriynoic acid
type: Class
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8,11,14-17H2,1H3,(H,19,20)
inchikey: QDRCSBBAKYSJAR-UHFFFAOYSA-N
monoisotopicmass: 2.7217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_197205
abbrev: FA 18:6

8,11,14-octadecatriynoic acid
type: Class
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,6,9,12-17H2,1H3,(H,19,20)
inchikey: PZEZOXBETFWFDN-UHFFFAOYSA-N
monoisotopicmass: 2.7217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_197066
abbrev: FA 18:6

13E-octadecene-9,11-diynoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,11-17H2,1H3,(H,19,20)/b6-5+
inchikey: ACHMRCSARDWYGC-AATRIKPKSA-N
monoisotopicmass: 2.7419328E2
label: Exocarpic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_191240
abbrev: FA 18:5

13Z-octadecene-9,11-diynoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,11-17H2,1H3,(H,19,20)/b6-5-
inchikey: ACHMRCSARDWYGC-WAYWQWQTSA-N
monoisotopicmass: 2.7419328E2
label: Bolekic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_183017
abbrev: FA 18:5

17-octadecene-9,11-diynoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-6,11-17H2,(H,19,20)
inchikey: OASRDXXKKGHDJZ-UHFFFAOYSA-N
monoisotopicmass: 2.7419328E2
label: Isanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_197116
abbrev: FA 18:5

Pentadeca-9,11,13-triynoic acid
type: Class
formula: C15H18O2
inchi: InChI=1S/C15H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h8-14H2,1H3,(H,16,17)
inchikey: HZBWORWQUKIWJQ-UHFFFAOYSA-N
monoisotopicmass: 2.3013068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:6

11E-octadecen-9-ynoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,11-17H2,1H3,(H,19,20)/b8-7+
inchikey: VENIIVIRETXKSV-BQYQJAHWSA-N
monoisotopicmass: 2.78224581E2
label: Ximenynic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_165495
abbrev: FA 18:3

11Z-octadecen-9-ynoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,11-17H2,1H3,(H,19,20)/b8-7-
inchikey: VENIIVIRETXKSV-FPLPWBNLSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180173
abbrev: FA 18:3

17-octadecen-9-ynoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-8,11-17H2,(H,19,20)
inchikey: JSDJDUFIGGRVBJ-UHFFFAOYSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_173143
abbrev: FA 18:3

2-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-15H2,1H3,(H,19,20)
inchikey: WEAGGGHXTMXZQA-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196517
abbrev: FA 18:2

3-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-14,17H2,1H3,(H,19,20)
inchikey: PYMZBODKDYIROQ-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196516
abbrev: FA 18:2

4-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-13,16-17H2,1H3,(H,19,20)
inchikey: POMXMOPYYSXRGD-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196520
abbrev: FA 18:2

5-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-12,15-17H2,1H3,(H,19,20)
inchikey: GDBJCCBRRCYCEG-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_170096
abbrev: FA 18:2

7-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-10,13-17H2,1H3,(H,19,20)
inchikey: XXUPLYBCNPLTIW-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196519
abbrev: FA 18:2

10-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-7,10-17H2,1H3,(H,19,20)
inchikey: GBZYEKAQPBLIRP-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196518
abbrev: FA 18:2

11-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-6,9-17H2,1H3,(H,19,20)
inchikey: GDRONPBCNLMFBT-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_38394
abbrev: FA 18:2

12-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-17H2,1H3,(H,19,20)
inchikey: UTJWKGZXCAQRPW-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_193366
abbrev: FA 18:2

13-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-4,7-17H2,1H3,(H,19,20)
inchikey: MGIJBVDAWHPXLV-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187028
abbrev: FA 18:2

14-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,6-17H2,1H3,(H,19,20)
inchikey: SBNCTTZUMQKSDX-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196523
abbrev: FA 18:2

15-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,5-17H2,1H3,(H,19,20)
inchikey: DTBFQLRDDMCLOS-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196522
abbrev: FA 18:2

16-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-17H2,1H3,(H,19,20)
inchikey: HLBSMZODWAXZCR-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196521
abbrev: FA 18:2

17-octadecynoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-17H2,(H,19,20)
inchikey: DZIILFGADWDKMF-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_142447
abbrev: FA 18:2

7-octenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2H,1,3-7H2,(H,9,10)
inchikey: OZYYQTRHHXLTKX-UHFFFAOYSA-N
monoisotopicmass: 1.4209938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180307
abbrev: FA 8:1

2-octynoic acid
type: Class
formula: C8H12O2
inchi: InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)
inchikey: BQDKCWCMDBMLEH-UHFFFAOYSA-N
monoisotopicmass: 1.4008373E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_60295
abbrev: FA 8:2

7-octynoic acid
type: Class
formula: C8H12O2
inchi: InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h1H,3-7H2,(H,9,10)
inchikey: WJBHDZBQZOMDFF-UHFFFAOYSA-N
monoisotopicmass: 1.4008373E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187270
abbrev: FA 8:2

5-oxo-7-decynoic acid
type: Class
formula: C10H14O3
inchi: InChI=1S/C10H14O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h2,5-8H2,1H3,(H,12,13)
inchikey: JYHUNGZMKMRIAT-UHFFFAOYSA-N
monoisotopicmass: 1.82094295E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165476
abbrev: FA 10:3;O

6E-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h9-10H,2-8,11-14H2,1H3,(H,16,17)/b10-9+
inchikey: VQDOIVGYJXZOQY-MDZDMXLPSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:1

3-pentadecynoic acid
type: Class
formula: C15H26O2
inchi: InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-11,14H2,1H3,(H,16,17)
inchikey: JXPFDNOLLLAYDO-UHFFFAOYSA-N
monoisotopicmass: 2.3819328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_192945
abbrev: FA 15:2

14-pentadecynoic acid
type: Class
formula: C15H26O2
inchi: InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h1H,3-14H2,(H,16,17)
inchikey: XQWIFIPUVVRXNJ-UHFFFAOYSA-N
monoisotopicmass: 2.3819328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165455
abbrev: FA 15:2

10E,12E-tetradecadiene-4,6-diynoic acid
type: Class
formula: C14H16O2
inchi: InChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-5H,6-7,12-13H2,1H3,(H,15,16)/b3-2+,5-4+
inchikey: XVCXOPIQXLCWFY-MQQKCMAXSA-N
monoisotopicmass: 2.1611503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_137793
abbrev: FA 14:6

3-tetradecynoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-10,13H2,1H3,(H,15,16)
inchikey: NXRVELJJJOMFAM-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196051
abbrev: FA 14:2

4-tetradecynoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-9,12-13H2,1H3,(H,15,16)
inchikey: LMOFKFVITGLLAG-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196050
abbrev: FA 14:2

5-tetradecynoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-8,11-13H2,1H3,(H,15,16)
inchikey: RHOQRBVFJSAQTR-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_177501
abbrev: FA 14:2

6-tetradecynoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-7,10-13H2,1H3,(H,15,16)
inchikey: ZLVZZNAVHZNAEK-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185466
abbrev: FA 14:2

7-tetradecynoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-6,9-13H2,1H3,(H,15,16)
inchikey: PSCRCHKVKCIYOU-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196052
abbrev: FA 14:2

8-tetradecynoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-5,8-13H2,1H3,(H,15,16)
inchikey: UIFQFQSRDJAJHH-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188399
abbrev: FA 14:2

9-tetradecynoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-4,7-13H2,1H3,(H,15,16)
inchikey: MWCVRFWPJVJKHE-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186994
abbrev: FA 14:2

10-tetradecynoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3,6-13H2,1H3,(H,15,16)
inchikey: WNKCFMWRUNCITP-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187252
abbrev: FA 14:2

11-tetradecynoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2,5-13H2,1H3,(H,15,16)
inchikey: LKSOLMUNOQDBOL-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196049
abbrev: FA 14:2

12-tetradecynoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h4-13H2,1H3,(H,15,16)
inchikey: OLBKDQUSKBUKEP-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196048
abbrev: FA 14:2

13-tetradecynoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h1H,3-13H2,(H,15,16)
inchikey: JNXXRQLAAJXERE-UHFFFAOYSA-N
monoisotopicmass: 2.2417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196053
abbrev: FA 14:2

7-tridecenoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h6-7H,2-5,8-12H2,1H3,(H,14,15)/b7-6+
inchikey: ZFFAZMVPWOZYHQ-VOTSOKGWSA-N
monoisotopicmass: 2.1217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_191885
abbrev: FA 13:1

3-tridecynoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-9,12H2,1H3,(H,14,15)
inchikey: LXMGQMCBCDJWMX-UHFFFAOYSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 13:2

4-tridecynoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-8,11-12H2,1H3,(H,14,15)
inchikey: AOYWRTRIEIWXFT-UHFFFAOYSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 13:2

5-tridecynoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-7,10-12H2,1H3,(H,14,15)
inchikey: YXJPQDYFCGFEEY-UHFFFAOYSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188405
abbrev: FA 13:2

6-tridecynoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-6,9-12H2,1H3,(H,14,15)
inchikey: HTIDNWJKGXAWEA-UHFFFAOYSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188422
abbrev: FA 13:2

7-tridecynoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-5,8-12H2,1H3,(H,14,15)
inchikey: UKKKJMVUWWRRTL-UHFFFAOYSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_177965
abbrev: FA 13:2

8-tridecynoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-4,7-12H2,1H3,(H,14,15)
inchikey: UUBZIEXOZGHALO-UHFFFAOYSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187115
abbrev: FA 13:2

9-tridecynoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-3,6-12H2,1H3,(H,14,15)
inchikey: IRTOCVRQBHTLDD-UHFFFAOYSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_168416
abbrev: FA 13:2

10-tridecynoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2,5-12H2,1H3,(H,14,15)
inchikey: OJDWITZAURZUDE-UHFFFAOYSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_177121
abbrev: FA 13:2

11-tridecynoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h4-12H2,1H3,(H,14,15)
inchikey: JFCYIJIRIXJLFE-UHFFFAOYSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187100
abbrev: FA 13:2

12-tridecynoic acid
type: Class
formula: C13H22O2
inchi: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h1H,3-12H2,(H,14,15)
inchikey: HWIFJCZFXIICIS-UHFFFAOYSA-N
monoisotopicmass: 2.1016198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165452
abbrev: FA 13:2

4-undecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h7-8H,2-6,9-10H2,1H3,(H,12,13)/b8-7+
inchikey: KHDNXEYJITXOKI-BQYQJAHWSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188433
abbrev: FA 11:1

6-undecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h5-6H,2-4,7-10H2,1H3,(H,12,13)/b6-5+
inchikey: DRIWYILTZPGTFU-AATRIKPKSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_191897
abbrev: FA 11:1

7-undecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h4-5H,2-3,6-10H2,1H3,(H,12,13)/b5-4+
inchikey: NNARBTBSQBNUGJ-SNAWJCMRSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186739
abbrev: FA 11:1

2-undecynoic acid
type: Class
formula: C11H18O2
inchi: InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-8H2,1H3,(H,12,13)
inchikey: FSHGKCLIZVPYIQ-UHFFFAOYSA-N
monoisotopicmass: 1.8213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_182982
abbrev: FA 11:2

3-undecynoic acid
type: Class
formula: C11H18O2
inchi: InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-7,10H2,1H3,(H,12,13)
inchikey: UYMNVSHAJLDXRR-UHFFFAOYSA-N
monoisotopicmass: 1.8213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195889
abbrev: FA 11:2

4-undecynoic acid
type: Class
formula: C11H18O2
inchi: InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-6,9-10H2,1H3,(H,12,13)
inchikey: RICXZQBDWBCFKY-UHFFFAOYSA-N
monoisotopicmass: 1.8213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165471
abbrev: FA 11:2

5-undecynoic acid
type: Class
formula: C11H18O2
inchi: InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-5,8-10H2,1H3,(H,12,13)
inchikey: UFVXTAPZDFGWBH-UHFFFAOYSA-N
monoisotopicmass: 1.8213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195890
abbrev: FA 11:2

6-undecynoic acid
type: Class
formula: C11H18O2
inchi: InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-4,7-10H2,1H3,(H,12,13)
inchikey: SZFIUICARVYPTH-UHFFFAOYSA-N
monoisotopicmass: 1.8213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187532
abbrev: FA 11:2

7-undecynoic acid
type: Class
formula: C11H18O2
inchi: InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-3,6-10H2,1H3,(H,12,13)
inchikey: HCVQILXMEVXFTC-UHFFFAOYSA-N
monoisotopicmass: 1.8213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_193382
abbrev: FA 11:2

8-undecynoic acid
type: Class
formula: C11H18O2
inchi: InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2,5-10H2,1H3,(H,12,13)
inchikey: DLPZDPDRDROAGT-UHFFFAOYSA-N
monoisotopicmass: 1.8213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185389
abbrev: FA 11:2

9-undecynoic acid
type: Class
formula: C11H18O2
inchi: InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h4-10H2,1H3,(H,12,13)
inchikey: ZOYDMFOVPQMSPJ-UHFFFAOYSA-N
monoisotopicmass: 1.8213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185332
abbrev: FA 11:2

10-undecynoic acid
type: Class
formula: C11H18O2
inchi: InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2,(H,12,13)
inchikey: OAOUTNMJEFWJPO-UHFFFAOYSA-N
monoisotopicmass: 1.8213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185054
abbrev: FA 11:2

18-bromo-9E,17E-Octadecadiene-7,15-diynoic acid
type: Class
formula: C18H23O2Br
inchi: InChI=1S/C18H23BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,15,17H,3,5,7-10,12,14,16H2,(H,20,21)/b2-1+,17-15+
inchikey: PKRHWWLSHFMWNA-UUUWWEMDSA-N
monoisotopicmass: 3.5008814E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

18-bromo-9Z,17E-Octadecadiene-7,15-diynoic acid
type: Class
formula: C18H23O2Br
inchi: InChI=1S/C18H23BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,15,17H,3,5,7-10,12,14,16H2,(H,20,21)/b2-1-,17-15+
inchikey: PKRHWWLSHFMWNA-JWAPFZNZSA-N
monoisotopicmass: 3.5008814E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

4,7,10,13,16,19-Docosahexaynoic acid
type: Class
formula: C22H20O2
inchikey: OYADDSIRDBGZMY-UHFFFAOYSA-N
monoisotopicmass: 3.1614633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_168458
abbrev: FA 22:12

4,7,10,13,16-Docosapentaynoic acid
type: Class
formula: C22H24O2
inchikey: IPDRUBVLXFRNPJ-UHFFFAOYSA-N
monoisotopicmass: 3.2017763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:10

7,10,13,16,19-Docosapentaynoic acid
type: Class
formula: C22H24O2
inchikey: QABINHZYJUWZIA-UHFFFAOYSA-N
monoisotopicmass: 3.2017763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187549
abbrev: FA 22:10

4,7,10,13-Docosatetraynoic acid
type: Class
formula: C22H28O2
inchikey: IPQYPILHQXQNIZ-UHFFFAOYSA-N
monoisotopicmass: 3.2420893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_178690
abbrev: FA 22:8

5,8,11,14-Docosatetraynoic acid
type: Class
formula: C22H28O2
inchikey: GVGOPWDYQYWCIZ-UHFFFAOYSA-N
monoisotopicmass: 3.2420893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_178689
abbrev: FA 22:8

7,10,13,16-Docosatetraynoic acid
type: Class
formula: C22H28O2
inchikey: VRQJCBQYXJISJK-UHFFFAOYSA-N
monoisotopicmass: 3.2420893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_178691
abbrev: FA 22:8

3,9,15-Docosatriynoic acid
type: Class
formula: C22H32O2
inchikey: CMTSTCUCQFCZHU-UHFFFAOYSA-N
monoisotopicmass: 3.28240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165463
abbrev: FA 22:6

8,11,14-Docosatriynoic acid
type: Class
formula: C22H32O2
inchikey: DSPYHXFXVLHAIZ-UHFFFAOYSA-N
monoisotopicmass: 3.28240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165485
abbrev: FA 22:6

10,13,16-Docosatriynoic acid
type: Class
formula: C22H32O2
inchikey: QPBINMRNALMRNT-UHFFFAOYSA-N
monoisotopicmass: 3.28240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188389
abbrev: FA 22:6

Behenolic acid
type: Class
formula: C22H40O2
inchikey: VUXNZDYAHSFXBM-UHFFFAOYSA-N
monoisotopicmass: 3.36302831E2
label: Docos-13-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:2

7,13-Eicosadiynoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-6,9-12,15-19H2,1H3,(H,21,22)
inchikey: GXBKUEOGUICUMG-UHFFFAOYSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

8,11-Eicosadiynoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-8,11,14-19H2,1H3,(H,21,22)
inchikey: AJBBHZDIKZCZAI-UHFFFAOYSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185012
abbrev: FA 20:4

10,13-Eicosadiynoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-6,9,12-19H2,1H3,(H,21,22)
inchikey: DTODYGKYQDXBLJ-UHFFFAOYSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

4,8,11,14-Eicosatetraynoic acid
type: Class
formula: C20H24O2
inchi: InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14-15,18-19H2,1H3,(H,21,22)
inchikey: MFIOYGZHGRVPNB-UHFFFAOYSA-N
monoisotopicmass: 2.9617763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187566
abbrev: FA 20:8

5,8,11,14-Eicosatetraynoic acid
type: Class
formula: C20H24O2
inchi: InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
inchikey: MGLDCXPLYOWQRP-UHFFFAOYSA-N
monoisotopicmass: 2.9617763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_94483
abbrev: FA 20:8

8,11,14-Eicosatriynoic acid
type: Class
formula: C20H28O2
inchi: InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14-19H2,1H3,(H,21,22)
inchikey: QLLIWTBTVOPGCM-UHFFFAOYSA-N
monoisotopicmass: 3.0020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_192957
abbrev: FA 20:6

5Z,8Z,14Z-Eicosatrien-11-ynoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,13-12-,16-15-
inchikey: VGCBBIXUNNBXPC-IJJPYCETSA-N
monoisotopicmass: 3.02224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_184172
abbrev: FA 20:5

5Z,11Z,14Z-Eicosatrien-8-ynoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,16-15-
inchikey: YETMSTXPNJOICF-URZBRJKDSA-N
monoisotopicmass: 3.02224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_192887
abbrev: FA 20:5

5,6-dehydro arachidonic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
inchikey: GIOQWSLKUVKKAO-QNEBEIHSSA-N
monoisotopicmass: 3.02224581E2
label: 8Z,11Z,14Z-Eicosatrien-5-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_189012
abbrev: FA 20:5

5,8,11-Eicosatriynoic acid
type: Class
formula: C20H28O2
inchi: InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-8,11,14,17-19H2,1H3,(H,21,22)
inchikey: OWYNLPMPYBYKJP-UHFFFAOYSA-N
monoisotopicmass: 3.0020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_53454
abbrev: FA 20:6

6,9,12-Eicosatriynoic acid
type: Class
formula: C20H28O2
inchi: InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-7,10,13,16-19H2,1H3,(H,21,22)
inchikey: RSMFQLSQGBXLJC-UHFFFAOYSA-N
monoisotopicmass: 3.0020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165477
abbrev: FA 20:6

7,10,13-Eicosatriynoic acid
type: Class
formula: C20H28O2
inchi: InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-6,9,12,15-19H2,1H3,(H,21,22)
inchikey: ZYRLCLLIRDCCSE-UHFFFAOYSA-N
monoisotopicmass: 3.0020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_192939
abbrev: FA 20:6

9,12,15-Eicosatriynoic acid
type: Class
formula: C20H28O2
inchi: InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-4,7,10,13-19H2,1H3,(H,21,22)
inchikey: PCNFIVAXFRQRDJ-UHFFFAOYSA-N
monoisotopicmass: 3.0020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185326
abbrev: FA 20:6

9E-Eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11+
inchikey: LQJBNNIYVWPHFW-VAWYXSNFSA-N
monoisotopicmass: 3.10287181E2
label: Gadelaidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_32422
abbrev: FA 20:1

12,14-Heptacosadiynoic acid
type: Class
formula: C27H46O2
inchikey: WFKKPVSAXVSKCE-UHFFFAOYSA-N
monoisotopicmass: 4.02349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165450
abbrev: FA 27:4

4,7,13-Hexadecatrienoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,9-10,12-13H,2,5-8,11,14-15H2,1H3,(H,17,18)/b4-3+,10-9+,13-12+
inchikey: YCKJXDKTCUJPDD-ZRXPTQEJSA-N
monoisotopicmass: 2.5019328E2
label: 4E,7E,13E-Hexadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:3

6E,8E,12E,14E-Hexadecatetraen-10-ynoic acid
type: Class
formula: C16H20O2
inchi: InChI=1S/C16H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-5,8-11H,12-15H2,1H3,(H,17,18)/b3-2+,5-4+,9-8+,11-10+
inchikey: PQEDBXYGXRUDBS-BDPLZKCDSA-N
monoisotopicmass: 2.4414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186726
abbrev: FA 16:6

6E,8E,14E-Hexadecatriene-10,12-diynoic acid
type: Class
formula: C16H18O2
inchi: InChI=1S/C16H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,8-11H,12-15H2,1H3,(H,17,18)/b3-2+,9-8+,11-10+
inchikey: QRMUVFBZROTBPM-MMOYHAHMSA-N
monoisotopicmass: 2.4213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187414
abbrev: FA 16:7

6E,8E,14Z-Hexadecatriene-10,12-diynoic acid
type: Class
formula: C16H18O2
inchi: InChI=1S/C16H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,8-11H,12-15H2,1H3,(H,17,18)/b3-2-,9-8+,11-10+
inchikey: QRMUVFBZROTBPM-ULTUQXKFSA-N
monoisotopicmass: 2.4213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197241
abbrev: FA 16:7

6E,8E,12E-Hexadecatrien-10-ynoic acid
type: Class
formula: C16H20O2
inchi: InChI=1S/C16H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-5,8-11H,12-15H2,1H3,(H,17,18)/b3-2-,5-4+,9-8+,11-10+
inchikey: PQEDBXYGXRUDBS-MVYQUDTQSA-N
monoisotopicmass: 2.4414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186766
abbrev: FA 16:6

10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid
type: Class
formula: C10H8O3
inchi: InChI=1S/C10H8O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5-8,11H,9H2,(H,12,13)/b7-5+,8-6+
inchikey: AJSNUBLNFVLJEB-KQQUZDAGSA-N
monoisotopicmass: 1.76047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179284
abbrev: FA 10:6;O

10-hydroxy-2E,8Z-Decadiene-4,6-diynoic acid
type: Class
formula: C10H8O3
inchi: InChI=1S/C10H8O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5-8,11H,9H2,(H,12,13)/b7-5-,8-6+
inchikey: AJSNUBLNFVLJEB-CGXWXWIYSA-N
monoisotopicmass: 1.76047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_173809
abbrev: FA 10:6;O

10-hydroxy-2Z,8Z-Decadiene-4,6-diynoic acid
type: Class
formula: C10H8O3
inchi: InChI=1S/C10H8O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5-8,11H,9H2,(H,12,13)/b7-5-,8-6-
inchikey: AJSNUBLNFVLJEB-SFECMWDFSA-N
monoisotopicmass: 1.76047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179286
abbrev: FA 10:6;O

8S-hydroxy-2E-Decene-4,6-diynoic acid
type: Class
formula: C10H10O3
inchi: InChI=1S/C10H10O3/c1-2-9(11)7-5-3-4-6-8-10(12)13/h6,8-9,11H,2H2,1H3,(H,12,13)/b8-6+/t9-/m0/s1
inchikey: CRRZPEMJSQSTDV-ORZBULNSSA-N
monoisotopicmass: 1.78062995E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_184596
abbrev: FA 10:5;O

8S-hydroxy-2-Decene-4,6-diynoic acid
type: Class
formula: C10H10O3
inchi: InChI=1S/C10H10O3/c1-2-9(11)7-5-3-4-6-8-10(12)13/h6,8-9,11H,2H2,1H3,(H,12,13)/b8-6-/t9-/m0/s1
inchikey: CRRZPEMJSQSTDV-XZLDQRQTSA-N
monoisotopicmass: 1.78062995E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165487
abbrev: FA 10:5;O

10-hydroxy-8E-Decene-4,6-diynoic acid
type: Class
formula: C10H10O3
inchi: InChI=1S/C10H10O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,6,8-9H2,(H,12,13)/b7-5+
inchikey: JIPUTTVWDAXSEZ-FNORWQNLSA-N
monoisotopicmass: 1.78062995E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187365
abbrev: FA 10:5;O

10-hydroxy-8Z-Decene-4,6-diynoic acid
type: Class
formula: C10H10O3
inchi: InChI=1S/C10H10O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,6,8-9H2,(H,12,13)/b7-5-
inchikey: JIPUTTVWDAXSEZ-ALCCZGGFSA-N
monoisotopicmass: 1.78062995E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_169576
abbrev: FA 10:5;O

10-hydroxy-8E-Decene-2,4,6-triynoic acid
type: Class
formula: C10H8O3
inchi: InChI=1S/C10H8O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,5,7,9H2,(H,12,13)
inchikey: XHUBNORIRAJQLO-UHFFFAOYSA-N
monoisotopicmass: 1.76047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_137750
abbrev: FA 10:6;O

9-hydroxy-2Z,5E,7Z,11Z,14Z-Eicosapentaenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-15,17-19,21H,2-5,8,12,16H2,1H3,(H,22,23)/b7-6-,11-9+,13-10-,17-14-,18-15-
inchikey: HYIMLVVUIPGBLR-MFUNBAKFSA-N
monoisotopicmass: 3.18219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 20:5;O

12-hydroxy-5Z,8Z,10Z,14Z-Eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14-
inchikey: ZNHVWPKMFKADKW-SVDRWAFQSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 20:4;O

9-hydroxy-7E-Nonene-3,5-diynoic acid
type: Class
formula: C9H8O3
inchi: InChI=1S/C9H8O3/c10-8-6-4-2-1-3-5-7-9(11)12/h4,6,10H,7-8H2,(H,11,12)/b6-4+
inchikey: DSMORYZYOBMZIC-GQCTYLIASA-N
monoisotopicmass: 1.64047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179846
abbrev: FA 9:5;O

9-hydroxy-7Z-Nonene-3,5-diynoic acid
type: Class
formula: C9H8O3
inchi: InChI=1S/C9H8O3/c10-8-6-4-2-1-3-5-7-9(11)12/h4,6,10H,7-8H2,(H,11,12)/b6-4-
inchikey: DSMORYZYOBMZIC-XQRVVYSFSA-N
monoisotopicmass: 1.64047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_137825
abbrev: FA 9:5;O

6-hydroxy-7E,9E-Octadecadiene-11,13,15,17-tetraynoic acid
type: Class
formula: C18H16O3
inchi: InChI=1S/C18H16O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,9-11,14,17,19H,12-13,15-16H2,(H,20,21)/b10-9+,14-11+
inchikey: GOOGOKNSXZDSND-QDCWQMMGSA-N
monoisotopicmass: 2.80109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_186749
abbrev: FA 18:10;O

6-hydroxy-7E,9Z-Octadecadiene-11,13,15,17-tetraynoic acid
type: Class
formula: C18H16O3
inchi: InChI=1S/C18H16O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,9-11,14,17,19H,12-13,15-16H2,(H,20,21)/b10-9-,14-11+
inchikey: GOOGOKNSXZDSND-TVFNDYRWSA-N
monoisotopicmass: 2.80109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187516
abbrev: FA 18:10;O

6-hydroxy-7Z,9E-Octadecadiene-11,13,15,17-tetraynoic acid
type: Class
formula: C18H16O3
inchi: InChI=1S/C18H16O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,9-11,14,17,19H,12-13,15-16H2,(H,20,21)/b10-9+,14-11-
inchikey: GOOGOKNSXZDSND-POLRJCGMSA-N
monoisotopicmass: 2.80109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:10;O

9-Octacosenoic acid
type: Class
formula: C28H54O2
inchikey: HNRCRTUMPOEQGL-FMQUCBEESA-N
monoisotopicmass: 4.22412381E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 28:1

9Z,12Z-Octadecadien-6-ynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-
inchikey: UECZBRRJYAZMDX-HZJYTTRNSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_86506
abbrev: FA 18:4

9Z,14Z-Octadecadien-6-ynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,9-10H,2-3,6-8,11,14-17H2,1H3,(H,19,20)/b5-4-,10-9-
inchikey: VFYDOTWODCSOBH-ACHWKMRWSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188050
abbrev: FA 18:4

5,8,11,14-Octadecatetraynoic acid
type: Class
formula: C18H20O2
inchi: InChI=1S/C18H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,6,9,12,15-17H2,1H3,(H,19,20)
inchikey: LSJMLQRUBMCWAQ-UHFFFAOYSA-N
monoisotopicmass: 2.6814633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_184875
abbrev: FA 18:8

5E-Octadecene-7,9-diynoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-8,15-17H2,1H3,(H,19,20)/b14-13+
inchikey: IGVKWAAPMVVTFX-BUHFOSPRSA-N
monoisotopicmass: 2.7419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:5

5Z-Octadecene-7,9-diynoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-8,15-17H2,1H3,(H,19,20)/b14-13-
inchikey: IGVKWAAPMVVTFX-YPKPFQOOSA-N
monoisotopicmass: 2.7419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:5

9Z-Octadecene-12,14-diynoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-3,8,11-17H2,1H3,(H,19,20)/b10-9-
inchikey: FCCQJXSEMADYEB-KTKRTIGZSA-N
monoisotopicmass: 2.7419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_186992
abbrev: FA 18:5

9-Octadecene-12,14,16-triynoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-3,8,11-17H2,1H3,(H,19,20)/b10-9+
inchikey: FCCQJXSEMADYEB-MDZDMXLPSA-N
monoisotopicmass: 2.7419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187228
abbrev: FA 18:5

9E-Octadecen-12-ynoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9+
inchikey: SAOSKFBYQJLQOS-MDZDMXLPSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196172
abbrev: FA 18:3

9Z-Octadecen-12-ynoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9-
inchikey: SAOSKFBYQJLQOS-KTKRTIGZSA-N
monoisotopicmass: 2.78224581E2
label: Crepenynic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_16423
abbrev: FA 18:3

6E-Octene-2,4-diynoic acid
type: Class
formula: C8H6O2
inchi: InChI=1S/C8H6O2/c1-2-3-4-5-6-7-8(9)10/h2-3H,1H3,(H,9,10)/b3-2+
inchikey: PLQITNSZGATMPR-NSCUHMNNSA-N
monoisotopicmass: 1.3403678E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_137819
abbrev: FA 8:5

6Z-Octene-2,4-diynoic acid
type: Class
formula: C8H6O2
inchi: InChI=1S/C8H6O2/c1-2-3-4-5-6-7-8(9)10/h2-3H,1H3,(H,9,10)/b3-2-
inchikey: PLQITNSZGATMPR-IHWYPQMZSA-N
monoisotopicmass: 1.3403678E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179368
abbrev: FA 8:5

12,14-Pentacosadiynoic acid
type: Class
formula: C25H42O2
inchikey: WGUBUTPKAGTFAB-UHFFFAOYSA-N
monoisotopicmass: 3.74318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165451
abbrev: FA 25:4

6,9,12,15,18,21-Tetracosahexaynoic acid
type: Class
formula: C24H24O2
inchikey: NLJRNNBATXZRLC-UHFFFAOYSA-N
monoisotopicmass: 3.4417763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_138497
abbrev: FA 24:12

6,9,12,15,18-Tetracosapentaynoic acid
type: Class
formula: C24H28O2
inchikey: HNYHXNBZIXQWBA-UHFFFAOYSA-N
monoisotopicmass: 3.4820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187301
abbrev: FA 24:10

5,6,15-trihydroxy-7,9,13-Eicosatrien-11-ynoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h5,7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b7-5+,13-9+,14-10+
inchikey: FGNHRTMSQFGXDG-AWDXSQJBSA-N
monoisotopicmass: 3.50209326E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_186304
abbrev: FA 20:5;O3

5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4+,7-5+,12-9+,15-10+
inchikey: UXVRTOKOJOMENI-ICTGYCPSSA-N
monoisotopicmass: 3.52224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 20:4;O3

2,4,6-trimethyl-2,15-tetracosadienoic acid
type: Class
formula: C27H50O2
inchi: InChI=1S/C27H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-25(3)23-26(4)27(28)29/h12-13,23-25H,5-11,14-22H2,1-4H3,(H,28,29)/b13-12+,26-23+
inchikey: KPNSOKYZIINHDY-GVKIQVMWSA-N
monoisotopicmass: 4.06381081E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 27:2

2E,8E-decadiene-4,6-diynoic acid
type: Class
formula: C10H8O2
inchi: InChI=1S/C10H8O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,8-9H,1H3,(H,11,12)/b3-2+,9-8+
inchikey: XFJJYWHEBHHXPH-VHYPUYLQSA-N
monoisotopicmass: 1.6005243E2
label: Matricaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_189777
abbrev: FA 10:6

2E,8Z-Undecadiene-4,6-diynoic acid
type: Class
formula: C11H10O2
inchi: InChI=1S/C11H10O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h3-4,9-10H,2H2,1H3,(H,12,13)/b4-3-,10-9+
inchikey: SESVVWQTIKATCE-PWGWRZEZSA-N
monoisotopicmass: 1.7406808E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_137705
abbrev: FA 11:6

3Z-Undecene-5,7,10-triynoic acid
type: Class
formula: C11H8O2
inchi: InChI=1S/C11H8O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1,8-9H,3,10H2,(H,12,13)/b9-8-
inchikey: HIUCKCDFIJDCPR-HJWRWDBZSA-N
monoisotopicmass: 1.7205243E2
label: Drosophilin C
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 11:7

4E-Undecene-6,8,10-triynoic acid
type: Class
formula: C11H8O2
inchi: InChI=1S/C11H8O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1,7-8H,9-10H2,(H,12,13)/b8-7+
inchikey: FENUSKPOOCOKOM-BQYQJAHWSA-N
monoisotopicmass: 1.7205243E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186702
abbrev: FA 11:7

8Z,11Z,14Z-heptadecatrienoic acid
type: Class
formula: C17H28O2
inchi: InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h3-4,6-7,9-10H,2,5,8,11-16H2,1H3,(H,18,19)/b4-3-,7-6-,10-9-
inchikey: FAFSAZIEJFMBBY-PDBXOOCHSA-N
monoisotopicmass: 2.6420893E2
label: Norlinolenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_76235
abbrev: FA 17:3

5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
inchikey: JAZBEHYOTPTENJ-JLNKQSITSA-N
monoisotopicmass: 3.02224581E2
label: EPA
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_28364
equivalent class: SLM_000000409
abbrev: FA 20:5

5Z,7E,9E,14Z,17Z-eicosapentaenoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,11-16H,2,5,8-10,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,12-11+,14-13+,16-15-
inchikey: XGTCGDUVXWLURC-FZNBEQTOSA-N
monoisotopicmass: 3.02224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_29457
abbrev: FA 20:5

5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid (d5)
type: Class
formula: C20H25D5O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-/i1D3,2D2
inchikey: JAZBEHYOTPTENJ-YSTLBCQOSA-N
monoisotopicmass: 3.07255964E2
label: EPA (d5)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_190750

4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid (d5)
type: Class
formula: C22H27D5O2
inchikey: MBMBGCFOFBJSGT-RPBOKJFVSA-N
monoisotopicmass: 3.33271614E2
label: DHA (d5)
subclass of: https://www.lipidmaps.org/rdf/category/10103

9Z-octadecenoic acid (d5)
type: Class
formula: C18H29D5O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i1D3,2D2
inchikey: ZQPPMHVWECSIRJ-JEGJVYCWSA-N
monoisotopicmass: 2.87287264E2
label: Oleic acid (d5)
subclass of: https://www.lipidmaps.org/rdf/category/10103

9Z,11E,13E,15Z-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-10H,2,11-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+,10-9-
inchikey: IJTNSXPMYKJZPR-ZSCYQOFPSA-N
monoisotopicmass: 2.7620893E2
label: cis-parinaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_32409
abbrev: FA 18:4

(5Z,9E,14Z)-icosa-5,9,14-trienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,11-12,15-16H,2-5,8-10,13-14,17-19H2,1H3,(H,21,22)/b7-6-,12-11+,16-15-
inchikey: WTIGEPZSNQRUPU-SXOPFSEXSA-N
monoisotopicmass: 3.06255881E2
label: 5Z,9E,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_36037
abbrev: FA 20:3

5Z,8Z,14Z-eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,12-13,15-16H,2-5,8-11,14,17-19H2,1H3,(H,21,22)/b7-6-,13-12-,16-15-
inchikey: MZHLWKPZCXLYSL-IJJPYCETSA-N
monoisotopicmass: 3.06255881E2
label: eicosa-5Z,8Z,14Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_36202
abbrev: FA 20:3

3Z-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h9-10H,2-8,11H2,1H3,(H,13,14)/b10-9-
inchikey: XZJZNZATFHOMSJ-KTKRTIGZSA-N
monoisotopicmass: 1.9816198E2
label: cis-dodec-3-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_37207
abbrev: FA 12:1

3Z,6Z-dodecadienoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-7,9-10H,2-5,8,11H2,1H3,(H,13,14)/b7-6-,10-9-
inchikey: QHRHXXRXWDTFLI-HZJYTTRNSA-N
monoisotopicmass: 1.9614633E2
label: cis,cis-dodeca-3,6-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_37210
abbrev: FA 12:2

11Z-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-4H,2,5-13H2,1H3,(H,15,16)/b4-3-
inchikey: FWWOMPFHMRPXIH-ARJAWSKDSA-N
monoisotopicmass: 2.2619328E2
label: cis-tetradec-11-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_37273
abbrev: FA 14:1

11E-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-4H,2,5-13H2,1H3,(H,15,16)/b4-3+
inchikey: FWWOMPFHMRPXIH-ONEGZZNKSA-N
monoisotopicmass: 2.2619328E2
label: trans-tetradec-11-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_37274
abbrev: FA 14:1

3E-dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h9-10H,2-8,11H2,1H3,(H,13,14)/b10-9+
inchikey: XZJZNZATFHOMSJ-MDZDMXLPSA-N
monoisotopicmass: 1.9816198E2
label: trans-dodec-3-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38374
abbrev: FA 12:1

9Z,11E,14Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,7-10H,2-3,6,11-17H2,1H3,(H,19,20)/b5-4-,8-7+,10-9-
inchikey: STPHBDZEVRWTQO-IEQSJTAGSA-N
monoisotopicmass: 2.78224581E2
label: octadeca-9Z,11E,14Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_38389
abbrev: FA 18:3

(R)-laballenic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12,14H,2-11,15-17H2,1H3,(H,19,20)/t13-/m0/s1
inchikey: YXJXBVWHSBEPDQ-ZDUSSCGKSA-N
monoisotopicmass: 2.80240231E2
label: 5R,6-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_38401
abbrev: FA 18:2

(R)-lamenallenic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,12,14H,4-11,15-17H2,1H3,(H,19,20)/b3-2+/t13-/m0/s1
inchikey: IHBRXZJPXHXMCN-IBUXWKBASA-N
monoisotopicmass: 2.78224581E2
label: 5R,6,16E-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_38403
abbrev: FA 18:3

(S)-lamenallenic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,12,14H,4-11,15-17H2,1H3,(H,19,20)/b3-2+/t13-/m1/s1
inchikey: IHBRXZJPXHXMCN-YWVDXFKGSA-N
monoisotopicmass: 2.78224581E2
label: 5S,6,16E-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_38413
abbrev: FA 18:3

11E,13E,15Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-8H,2,9-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+
inchikey: ZSXWVPXJLXTOQQ-ZRGCPWHVSA-N
monoisotopicmass: 2.78224581E2
label: octadeca-11E,13E,15Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_44602
abbrev: FA 18:3

3Z-hexenoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3-
inchikey: XXHDAWYDNSXJQM-ARJAWSKDSA-N
monoisotopicmass: 1.1406808E2
label: cis-hex-3-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_49284
abbrev: FA 6:1

2Z-decenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8-
inchikey: WXBXVVIUZANZAU-HJWRWDBZSA-N
monoisotopicmass: 1.7013068E2
label: cis-dec-2-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_50466
abbrev: FA 10:1

2E,4E,6-heptatrienoic acid
type: Class
formula: C7H8O2
inchi: InChI=1S/C7H8O2/c1-2-3-4-5-6-7(8)9/h2-6H,1H2,(H,8,9)/b4-3+,6-5+
inchikey: FUCUVXOXNOUYJN-VNKDHWASSA-N
monoisotopicmass: 1.2405243E2
label: trans,trans-hepta-2,4,6-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_50483
abbrev: FA 7:3

2Z,4E,6-heptatrienoic acid
type: Class
formula: C7H8O2
inchi: InChI=1S/C7H8O2/c1-2-3-4-5-6-7(8)9/h2-6H,1H2,(H,8,9)/b4-3+,6-5-
inchikey: FUCUVXOXNOUYJN-ICWBMWKASA-N
monoisotopicmass: 1.2405243E2
label: cis,trans-hepta-2,4,6-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_50487
abbrev: FA 7:3

8Z-Decene-4,6-diynoic acid
type: Class
formula: C10H10O2
inchi: InChI=1S/C10H10O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3H,8-9H2,1H3,(H,11,12)/b3-2-
inchikey: CKFUQXLAOJQWNI-IHWYPQMZSA-N
monoisotopicmass: 1.6206808E2
label: 8Z-Dihydromatricaria acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186791
abbrev: FA 10:5

3,7-Dimethyl-2E,6-octadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
inchikey: ZHYZQXUYZJNEHD-VQHVLOKHSA-N
monoisotopicmass: 1.6811503E2
label: Geranic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_67264
abbrev: FA 10:2

5E-undecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h6-7H,2-5,8-10H2,1H3,(H,12,13)/b7-6+
inchikey: JFQMKACNTNIVEM-VOTSOKGWSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196481
abbrev: FA 11:1

5Z-undecenoic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h6-7H,2-5,8-10H2,1H3,(H,12,13)/b7-6-
inchikey: JFQMKACNTNIVEM-SREVYHEPSA-N
monoisotopicmass: 1.8414633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196480
abbrev: FA 11:1

10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c1-10(7-4-8-13)5-3-6-11(2)9-12(14)15/h5,9,13H,3-4,6-8H2,1-2H3,(H,14,15)/b10-5+,11-9+
inchikey: LNRHHLFPGMFPLP-WTIVLTGYSA-N
monoisotopicmass: 2.12141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180010
abbrev: FA 12:2;O

2E-Dodecenoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+
inchikey: PAWGRNGPMLVJQH-ZHACJKMWSA-N
monoisotopicmass: 1.9816198E2
label: 2E-Lauroleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_37162
abbrev: FA 12:1

3E,5Z-Tetradecadienoic acid
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-12H,2-8,13H2,1H3,(H,15,16)/b10-9-,12-11+
inchikey: YRUMHTHCEZRHTN-XAZJVICWSA-N
monoisotopicmass: 2.2417763E2
label: Megatomic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_72000
abbrev: FA 14:2

3S,7,11-Trimethyl-6,10-dodecadienoic acid
type: Class
formula: C15H26O2
inchi: InChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,14H,5-6,8,10-11H2,1-4H3,(H,16,17)/b13-9+/t14-/m0/s1
inchikey: HDAQPCUHLCPEHS-SSUFTNFISA-N
monoisotopicmass: 2.3819328E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:2

2Z-Hexenoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4-
inchikey: NIONDZDPPYHYKY-PLNGDYQASA-N
monoisotopicmass: 1.1406808E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180387
abbrev: FA 6:1

4-Methyl-3Z,5-hexadienoic acid
type: Class
formula: C7H10O2
inchi: InChI=1S/C7H10O2/c1-3-6(2)4-5-7(8)9/h3-4H,1,5H2,2H3,(H,8,9)/b6-4-
inchikey: BFUYPWNVMSXEQU-XQRVVYSFSA-N
monoisotopicmass: 1.2606808E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_184434
abbrev: FA 7:2

3-Methyl-2E-hexenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-3-4-6(2)5-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5+
inchikey: NTWSIWWJPQHFTO-AATRIKPKSA-N
monoisotopicmass: 1.2808373E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_144845
abbrev: FA 7:1

3-Methyl-2Z-hexenoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-3-4-6(2)5-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5-
inchikey: NTWSIWWJPQHFTO-WAYWQWQTSA-N
monoisotopicmass: 1.2808373E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179467
abbrev: FA 7:1

2E,7-Octadienoic acid
type: Class
formula: C8H12O2
inchi: InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2,6-7H,1,3-5H2,(H,9,10)/b7-6+
inchikey: NZEBVMIRSIBPJJ-VOTSOKGWSA-N
monoisotopicmass: 1.4008373E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_192127
abbrev: FA 8:2

2,4-Dimethyl-2-hexenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-4-6(2)5-7(3)8(9)10/h5-6H,4H2,1-3H3,(H,9,10)/b7-5+
inchikey: DCELYZLYGOHVMN-FNORWQNLSA-N
monoisotopicmass: 1.4209938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180311
abbrev: FA 8:1

3-Methyl-3E-heptenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-3-4-5-7(2)6-8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+
inchikey: MXEPBDTXDZEWDM-FNORWQNLSA-N
monoisotopicmass: 1.4209938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180310
abbrev: FA 8:1

3-Methyl-2Z-heptenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-3-4-5-7(2)6-8(9)10/h6H,3-5H2,1-2H3,(H,9,10)/b7-6-
inchikey: BBLRVFUTKVICCR-SREVYHEPSA-N
monoisotopicmass: 1.4209938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180309
abbrev: FA 8:1

3-Methyl-3Z-heptenoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-3-4-5-7(2)6-8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5-
inchikey: MXEPBDTXDZEWDM-ALCCZGGFSA-N
monoisotopicmass: 1.4209938E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180308
abbrev: FA 8:1

3-Methyleneheptanoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-3-4-5-7(2)6-8(9)10/h2-6H2,1H3,(H,9,10)
inchikey: DURJBIVOBGHCHY-UHFFFAOYSA-N
monoisotopicmass: 1.4209938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180306
abbrev: FA 8:1

2,6-Dimethyl-5-heptenoic acid
type: Class
formula: C9H16O2
inchi: InChI=1S/C9H16O2/c1-7(2)5-4-6-8(3)9(10)11/h5,8H,4,6H2,1-3H3,(H,10,11)
inchikey: YZGRYUUGPWDZTQ-UHFFFAOYSA-N
monoisotopicmass: 1.5611503E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195757
abbrev: FA 9:1

6Z-Nonenoic acid
type: Class
formula: C9H16O2
inchi: InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h3-4H,2,5-8H2,1H3,(H,10,11)/b4-3-
inchikey: ZPSOISAMGWYNQX-ARJAWSKDSA-N
monoisotopicmass: 1.5611503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195756
abbrev: FA 9:1

2E,4E,6E,8E,10E,12E-tetracosahexaenoic acid
type: Class
formula: C24H36O2
inchikey: HPSWUFMMLKGKDS-DNKOKRCQSA-N
monoisotopicmass: 3.56271531E2
label: tetracosahexaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:6

2E,4E,6E,8E-tetracosatetraenoic acid
type: Class
formula: C24H40O2
inchikey: RZHACVKGHNMWOP-ZWZRQGCWSA-N
monoisotopicmass: 3.60302831E2
label: tetracosatetraenoic acid n-6
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187924
abbrev: FA 24:4

7,10-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10H,2-5,8,11-15H2,1H3,(H,17,18)/b7-6+,10-9+
inchikey: WPJGPAAPSBVXNU-AVQMFFATSA-N
monoisotopicmass: 2.5220893E2
label: 7E,10E-hexadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_190359
abbrev: FA 16:2

7Z,10Z-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10H,2-5,8,11-15H2,1H3,(H,17,18)/b7-6-,10-9-
inchikey: WPJGPAAPSBVXNU-HZJYTTRNSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_86147
abbrev: FA 16:2

7E-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-15H2,1H3,(H,17,18)/b10-9+
inchikey: PJHOFUXBXJNUAC-MDZDMXLPSA-N
monoisotopicmass: 2.54224581E2
label: Hypogeic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:1

9Z,12Z-octadecadienoic acid(d4)
type: Class
formula: C18H28D4O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-/i6D,7D,9D,10D
inchikey: OYHQOLUKZRVURQ-GPTDOFLBSA-N
monoisotopicmass: 2.84265337E2
label: Linoleic acid(d4)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_137735

9Z-octadecenoic acid(d2)
type: Class
formula: C18H32D2O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i9D,10D
inchikey: ZQPPMHVWECSIRJ-FGFBQCSHSA-N
monoisotopicmass: 2.84268434E2
label: Oleic acid(d2)
subclass of: https://www.lipidmaps.org/rdf/category/10103

4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z-octacosaoctaenoic acid
type: Class
formula: C28H40O2
inchikey: SOQKXJABGLKWQX-QNEHAWMZSA-N
monoisotopicmass: 4.08302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_188064
abbrev: FA 28:8

7-trans,9-cis-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-12H,2-8,13-17H2,1H3,(H,19,20)/b10-9-,12-11+
inchikey: HACBQSMIIGXKGA-XAZJVICWSA-N
monoisotopicmass: 2.80240231E2
label: 7E,9Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196514
abbrev: FA 18:2

2E,4E,6E,11Z-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,12-17H,2-6,9-11H2,1H3,(H,19,20)/b8-7-,13-12+,15-14+,17-16+
inchikey: JDMHAZURDKGOJZ-JOOTUHJOSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

5Z,9Z-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8,11-12H,2-6,9-10,13-15H2,1H3,(H,17,18)/b8-7-,12-11-
inchikey: FHLHSNNZRDBQGE-MQEUWQHPSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196087
abbrev: FA 16:2

5E,9Z,12Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6-,10-9-,14-13+
inchikey: HXQHFNIKBKZGRP-OXXZWVFOSA-N
monoisotopicmass: 2.78224581E2
label: Columbinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196171
abbrev: FA 18:3

2E,8Z,11Z,14Z-Eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,19-18+
inchikey: RGPJKRHJQKFQAT-MKRVYSMQSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

5(E)-Arachidonic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15+
inchikey: YZXBAPSDXZZRGB-NYMQMLLSSA-N
monoisotopicmass: 3.04240231E2
label: 5E,8Z,11Z,14Z-Eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

8Z,11Z,14Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-
inchikey: HQPCSDADVLFHHO-LTKCOYKYSA-N
monoisotopicmass: 3.04240231E2
label: omega-3-Arachidonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_71488
equivalent class: SLM_000001206
abbrev: FA 20:4

9Z,12Z,15Z,18Z-Tetracosatetraenoic acid
type: Class
formula: C24H40O2
inchikey: MMJZTSLHOIGZPU-DOFZRALJSA-N
monoisotopicmass: 3.60302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77526
equivalent class: SLM_000001209
abbrev: FA 24:4

6Z,9Z,12Z,15Z,18Z-tetracosapentaenoic acid
type: Class
formula: C24H38O2
inchikey: VENRYLMOFDSSDJ-WMPRHZDHSA-N
monoisotopicmass: 3.58287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77527
equivalent class: SLM_000001211
abbrev: FA 24:5

9Z,12Z,15Z,18Z,21Z-tetracosapentaenoic acid
type: Class
formula: C24H38O2
inchikey: NPTIBOCVSPURCS-JLNKQSITSA-N
monoisotopicmass: 3.58287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77360
equivalent class: SLM_000001210
abbrev: FA 24:5

6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoic acid
type: Class
formula: C24H36O2
inchikey: YHGJECVSSKXFCJ-KUBAVDMBSA-N
monoisotopicmass: 3.56271531E2
label: THA
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77366
equivalent class: SLM_000001212
abbrev: FA 24:6

6Z,9Z,12Z,15Z,18Z-heneicosapentaenoic acid
type: Class
formula: C21H32O2
inchikey: OQOCQFSPEWCSDO-JLNKQSITSA-N
monoisotopicmass: 3.16240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165480
abbrev: FA 21:5

11Z,14Z,17Z,20Z-hexacosatetraenoic acid
type: Class
formula: C26H44O2
inchikey: ICYODDOZZLYLIV-DOFZRALJSA-N
monoisotopicmass: 3.88334131E2
label: 26:4(11Z,14Z,17Z,20Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77528
equivalent class: SLM_000001214
abbrev: FA 26:4

13Z,16Z,19Z,22Z-octacosatetraenoic acid
type: Class
formula: C28H48O2
inchikey: LPLFLSUGEHBUTE-DOFZRALJSA-N
monoisotopicmass: 4.16365431E2
label: 28:4(13Z,16Z,19Z,22Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77532
equivalent class: SLM_000001218
abbrev: FA 28:4

15Z,18Z,21Z,24Z-triacontatetraenoic acid
type: Class
formula: C30H52O2
inchikey: OYFUVVSDGVEUMN-DOFZRALJSA-N
monoisotopicmass: 4.44396731E2
label: 30:4(15Z,18Z,21Z,24Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77534
equivalent class: SLM_000001222
abbrev: FA 30:4

17Z,20Z,23Z,26Z-dotriacontatetraenoic acid
type: Class
formula: C32H56O2
inchikey: MJHWTWLEKCSGAR-DOFZRALJSA-N
monoisotopicmass: 4.72428031E2
label: 32:4(17Z,20Z,23Z,26Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77535
equivalent class: SLM_000001226
abbrev: FA 32:4

19Z,22Z,25Z,28Z-tetratriacontatetraenoic acid
type: Class
formula: C34H60O2
inchikey: FFLHEAAGYSHPEZ-DOFZRALJSA-N
monoisotopicmass: 5.00459331E2
label: 34:4(19Z,22Z,25Z,28Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77536
equivalent class: SLM_000001229
abbrev: FA 34:4

21Z,24Z,27Z,30Z-hexatriacontatetraenoic acid
type: Class
formula: C36H64O2
inchikey: PEMVOZOAPAFWKW-DOFZRALJSA-N
monoisotopicmass: 5.28490631E2
label: 36:4(21Z,24Z,27Z,30Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77538
equivalent class: SLM_000001232
abbrev: FA 36:4

23Z,26Z,29Z,32Z-octatriacontatetraenoic acid
type: Class
formula: C38H68O2
inchikey: VBYUCGQGILHSOG-DOFZRALJSA-N
monoisotopicmass: 5.56521931E2
label: 38:4(23Z,26Z,29Z,32Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77539
equivalent class: SLM_000001235
abbrev: FA 38:4

11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid
type: Class
formula: C26H42O2
inchikey: HIFHGEKXHBBCMU-JLNKQSITSA-N
monoisotopicmass: 3.86318481E2
label: Shibic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77368
equivalent class: SLM_000001215
abbrev: FA 26:5

13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
type: Class
formula: C28H46O2
inchikey: RDROALZQSJZKED-JLNKQSITSA-N
monoisotopicmass: 4.14349781E2
label: 28:5(13Z,16Z,19Z,22Z,25Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77372
equivalent class: SLM_000001219
abbrev: FA 28:5

15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
type: Class
formula: C30H50O2
inchikey: WGXVWUXXHNEMLO-JLNKQSITSA-N
monoisotopicmass: 4.42381081E2
label: 30:5(15Z,18Z,21Z,24Z,27Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77375
equivalent class: SLM_000001223
abbrev: FA 30:5

17Z,20Z,23Z,26Z,29Z-dotriacontapentaenoic acid
type: Class
formula: C32H54O2
inchikey: PQBCYTBVNFCCOI-JLNKQSITSA-N
monoisotopicmass: 4.70412381E2
label: 32:5(17Z,20Z,23Z,26Z,29Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77379
equivalent class: SLM_000001227
abbrev: FA 32:5

19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoic acid
type: Class
formula: C34H58O2
inchikey: OQBHZICSYJDNSX-JLNKQSITSA-N
monoisotopicmass: 4.98443681E2
label: 34:5(19Z,22Z,25Z,28Z,31Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77404
equivalent class: SLM_000001230
abbrev: FA 34:5

21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoic acid
type: Class
formula: C36H62O2
inchikey: HYQBLGJYQBZWSR-JLNKQSITSA-N
monoisotopicmass: 5.26474981E2
label: 36:5(21Z,24Z,27Z,30Z,33Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77499
equivalent class: SLM_000001233
abbrev: FA 36:5

23Z,26Z,29Z,32Z,35Z-octatriacontapentaenoic acid
type: Class
formula: C38H66O2
inchikey: GHNFMHOEKFLHDS-JLNKQSITSA-N
monoisotopicmass: 5.54506281E2
label: 38:5(23Z,26Z,29Z,32Z,35Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77503
equivalent class: SLM_000001236
abbrev: FA 38:5

26:6(8Z,11Z,14Z,17Z,20Z,23Z)
type: Class
formula: C26H40O2
inchikey: GLEIIPZRQAMQLG-KUBAVDMBSA-N
monoisotopicmass: 3.84302831E2
label: 8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77371
equivalent class: SLM_000001217
abbrev: FA 26:6

10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
type: Class
formula: C28H44O2
inchikey: BQXYAHWVQOZPTF-KUBAVDMBSA-N
monoisotopicmass: 4.12334131E2
label: 28:6(10Z,13Z,16Z,19Z,22Z,25Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77373
equivalent class: SLM_000001221
abbrev: FA 28:6

12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
type: Class
formula: C30H48O2
inchikey: BKFMERKCQDCYIE-KUBAVDMBSA-N
monoisotopicmass: 4.40365431E2
label: 30:6(12Z,15Z,18Z,21Z,24Z,27Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77377
equivalent class: SLM_000001225
abbrev: FA 30:6

14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoic acid
type: Class
formula: C32H52O2
inchikey: HIKGLCYKBLODNY-KUBAVDMBSA-N
monoisotopicmass: 4.68396731E2
label: 32:6(14Z,17Z,20Z,23Z,26Z,29Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77403
abbrev: FA 32:6

16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoic acid
type: Class
formula: C34H56O2
inchikey: TZKUXMFOWSEBLN-KUBAVDMBSA-N
monoisotopicmass: 4.96428031E2
label: 34:6(16Z,19Z,22Z,25Z,28Z,31Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77497
equivalent class: SLM_000001231
abbrev: FA 34:6

18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoic acid
type: Class
formula: C36H60O2
inchikey: XTVQYBHOOSVJTF-KUBAVDMBSA-N
monoisotopicmass: 5.24459331E2
label: 36:6(18Z,21Z,24Z,27Z,30Z,33Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77500
equivalent class: SLM_000001234
abbrev: FA 36:6

20Z,23Z,26Z,29Z,32Z,35Z-octatriacontahexaenoic acid
type: Class
formula: C38H64O2
inchikey: FOBIQODNODEPKT-KUBAVDMBSA-N
monoisotopicmass: 5.52490631E2
label: 38:6(20Z,23Z,26Z,29Z,32Z,35Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 38:6

26:5(8Z,11Z,14Z,17Z,20Z)
type: Class
formula: C26H42O2
inchikey: RDRLIOJIWJTIIV-WMPRHZDHSA-N
monoisotopicmass: 3.86318481E2
label: 8Z,11Z,14Z,17Z,20Z-hexacosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77531
equivalent class: SLM_000001216
abbrev: FA 26:5

10Z,13Z,16Z,19Z,22Z-octacosapentaenoic acid
type: Class
formula: C28H46O2
inchikey: VGZLGFZHNWXMPM-WMPRHZDHSA-N
monoisotopicmass: 4.14349781E2
label: 28:5(10Z,13Z,16Z,19Z,22Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77541
equivalent class: SLM_000001220
abbrev: FA 28:5

12Z,15Z,18Z,21Z,24Z-triacontapentaenoic acid
type: Class
formula: C30H50O2
inchikey: SLPNZWQAANGGLR-WMPRHZDHSA-N
monoisotopicmass: 4.42381081E2
label: 30:5(12Z,15Z,18Z,21Z,24Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_77542
equivalent class: SLM_000001224
abbrev: FA 30:5

14Z,17Z,20Z,23Z,26Z-dotriacontapentaenoic acid
type: Class
formula: C32H54O2
inchikey: SOJWNXGBEWFLQL-WMPRHZDHSA-N
monoisotopicmass: 4.70412381E2
label: 32:5(14Z,17Z,20Z,23Z,26Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_83424
abbrev: FA 32:5

16Z,19Z,22Z,25Z,28Z-tetratriacontapentaenoic acid
type: Class
formula: C34H58O2
inchikey: ASKJBTPRRSQTPM-WMPRHZDHSA-N
monoisotopicmass: 4.98443681E2
label: 34:5(16Z,19Z,22Z,25Z,28Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_87608
equivalent class: SLM_000485643
abbrev: FA 34:5

18Z,21Z,24Z,27Z,30Z-hexatriacontapentaenoic acid
type: Class
formula: C36H62O2
inchikey: HWGJWXQWJQVPRP-WMPRHZDHSA-N
monoisotopicmass: 5.26474981E2
label: 36:5(18Z,21Z,24Z,27Z,30Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_87612
equivalent class: SLM_000485644
abbrev: FA 36:5

20Z,23Z,26Z,29Z,32Z-octatriacontapentaenoic acid
type: Class
formula: C38H66O2
inchikey: AXFLUKXDXHPZBO-WMPRHZDHSA-N
monoisotopicmass: 5.54506281E2
label: 38:5(20Z,23Z,26Z,29Z,32Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: SLM_000485645
abbrev: FA 38:5

2E,6Z,9Z,12Z,15Z,18Z,21Z-tetracosaheptaenoic acid
type: Class
formula: C24H34O2
inchikey: CAOQRBMKUULMGN-AWZVLNPTSA-N
monoisotopicmass: 3.54255881E2
label: delta2-THA
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_65210
abbrev: FA 24:7

5Z,8Z,11Z,14Z,17Z,20Z-tricosahexaenoic acid
type: Class
formula: C23H34O2
inchikey: GGTVEFDAPOKWMQ-KUBAVDMBSA-N
monoisotopicmass: 3.42255881E2
label: TrHA
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_173193
abbrev: FA 23:6

16:1(5Z)
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h11-12H,2-10,13-15H2,1H3,(H,17,18)/b12-11-
inchikey: KVXIRQZWCOAYRD-QXMHVHEDSA-N
monoisotopicmass: 2.54224581E2
label: 5Z-hexadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179823
abbrev: FA 16:1

15:1(7Z)
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h8-9H,2-7,10-14H2,1H3,(H,16,17)/b9-8-
inchikey: IAGOGSZOIKMSGL-HJWRWDBZSA-N
monoisotopicmass: 2.4020893E2
label: 7Z-pentadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:1

11Z-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h6-7H,2-5,8-16H2,1H3,(H,18,19)/b7-6-
inchikey: KBXHUPLWJKJJER-SREVYHEPSA-N
monoisotopicmass: 2.68240231E2
label: 17:1(11Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186673
abbrev: FA 17:1

12Z-nonadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h7-8H,2-6,9-18H2,1H3,(H,20,21)/b8-7-
inchikey: UZIIAZIXTSAEPN-FPLPWBNLSA-N
monoisotopicmass: 2.96271531E2
label: 19:1(12Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196573
abbrev: FA 19:1

20:1(7Z)
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h13-14H,2-12,15-19H2,1H3,(H,21,22)/b14-13-
inchikey: HZFZCBADRWXPQW-YPKPFQOOSA-N
monoisotopicmass: 3.10287181E2
label: 7Z-eicosenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180272
abbrev: FA 20:1

20:2(7Z,14Z)
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,13-14H,2-5,8-12,15-19H2,1H3,(H,21,22)/b7-6-,14-13-
inchikey: LYJCLHKKCLWCLC-ZBXVJARNSA-N
monoisotopicmass: 3.08271531E2
label: 7Z,14Z-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180349
abbrev: FA 20:2

20:2(5Z,13Z)
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8,15-16H,2-6,9-14,17-19H2,1H3,(H,21,22)/b8-7-,16-15-
inchikey: VCKGBSZMAQFHBF-DRGLTMLKSA-N
monoisotopicmass: 3.08271531E2
label: 5Z,13Z-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180350
abbrev: FA 20:2

22:2(7Z,15Z)
type: Class
formula: C22H40O2
inchikey: MGODENBPAJYNPY-DRGLTMLKSA-N
monoisotopicmass: 3.36302831E2
label: 7Z,15Z-docosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:2

21:2(5Z,14Z)
type: Class
formula: C21H38O2
inchikey: CQDJOZCFFGVJDD-FHXPHMTISA-N
monoisotopicmass: 3.22287181E2
label: 5Z,14Z-heneicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:2

20:3(5Z,13Z,16Z)
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h4-5,7-8,15-16H,2-3,6,9-14,17-19H2,1H3,(H,21,22)/b5-4-,8-7-,16-15-
inchikey: CTIYMRZSJKVQFR-RWDPQMMFSA-N
monoisotopicmass: 3.06255881E2
label: 5Z,13Z,16Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

21:3(5Z,14Z,17Z)
type: Class
formula: C21H36O2
inchikey: KKVFOUYNLWZLLJ-ZVWJGDCJSA-N
monoisotopicmass: 3.20271531E2
label: 5Z,14Z,17Z-heneicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:3

5Z,11Z-eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,15-16H,2-8,11-14,17-19H2,1H3,(H,21,22)/b10-9-,16-15-
inchikey: RCYNQXHBZULXMM-GJWNNSPJSA-N
monoisotopicmass: 3.08271531E2
label: Keteleeronic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180351
abbrev: FA 20:2

15:1(9Z)
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h6-7H,2-5,8-14H2,1H3,(H,16,17)/b7-6-
inchikey: DJCQJZKZUCHHAL-SREVYHEPSA-N
monoisotopicmass: 2.4020893E2
label: 9Z-pentadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:1

20:2(5Z,15Z)
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h5-6,15-16H,2-4,7-14,17-19H2,1H3,(H,21,22)/b6-5-,16-15-
inchikey: WNCXYEKUZJPVOH-NCCHCWSYSA-N
monoisotopicmass: 3.08271531E2
label: 5Z,15Z-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180352
abbrev: FA 20:2

21:2(5Z,16Z)
type: Class
formula: C21H38O2
inchikey: WHODMRWGIAVEJR-RACUUBEBSA-N
monoisotopicmass: 3.22287181E2
label: 5Z,16Z-heneicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186977
abbrev: FA 21:2

16:3(6Z,9Z,12Z)
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)/b5-4-,8-7-,11-10-
inchikey: SBEXLJDCZSJDLW-YSTUJMKBSA-N
monoisotopicmass: 2.5019328E2
label: 6Z,9Z,12Z-hexadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180361
abbrev: FA 16:3

16:4(6Z,9Z,12Z,15Z)
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,4-5,7-8,10-11H,1,3,6,9,12-15H2,(H,17,18)/b5-4-,8-7-,11-10-
inchikey: OKBAWLHHZWRDBE-YSTUJMKBSA-N
monoisotopicmass: 2.4817763E2
label: 6Z,9Z,12Z,15Z-hexadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_137800
abbrev: FA 16:4

20:4(5Z,13Z,16Z,19Z)
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2,4-5,7-8,15-16H,1,3,6,9-14,17-19H2,(H,21,22)/b5-4-,8-7-,16-15-
inchikey: GQFGEDPYHNAYRX-RWDPQMMFSA-N
monoisotopicmass: 3.04240231E2
label: 5Z,13Z,16Z,19Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

30:3(5Z,9Z,23Z)
type: Class
formula: C30H54O2
inchikey: IDQDSPDHYZOBIF-QELXEAEKSA-N
monoisotopicmass: 4.46412381E2
label: 5Z,9Z,23Z-triacontatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 30:3

26:1(5Z))
type: Class
formula: C26H50O2
inchikey: XGHRLMLHBKEUAP-DQRAZIAOSA-N
monoisotopicmass: 3.94381081E2
label: 5Z-hexacosenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:1

19Z-hexacosenoic acid
type: Class
formula: C26H50O2
inchikey: YWZPXTOREXGTBW-FPLPWBNLSA-N
monoisotopicmass: 3.94381081E2
label: 26:1(19Z))
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:1

23Z-triacontenoic acid
type: Class
formula: C30H58O2
inchikey: FPSNIINKNPLCBN-FPLPWBNLSA-N
monoisotopicmass: 4.50443681E2
label: 30:1(23Z))
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 30:1

26:2(9Z,19Z)
type: Class
formula: C26H48O2
inchikey: YMHPJRHPJJCCMD-GROAESOISA-N
monoisotopicmass: 3.92365431E2
label: 9Z,19Z-hexacosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:2

28:2(9Z,21Z)
type: Class
formula: C28H52O2
inchikey: YTXNXYICWVEHLL-BEKHICDCSA-N
monoisotopicmass: 4.20396731E2
label: 9Z,21Z-octacosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_168514
abbrev: FA 28:2

28:3(5Z,9Z,21Z)
type: Class
formula: C28H50O2
inchikey: RDFXKQGVRMEZRJ-QVLUYBMUSA-N
monoisotopicmass: 4.18381081E2
label: 5Z,9Z,21Z-octacosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_168889
abbrev: FA 28:3

30:2(9Z,23Z)
type: Class
formula: C30H56O2
inchikey: HTSGLDYRQRJCAM-KEBMZOIYSA-N
monoisotopicmass: 4.48428031E2
label: 9Z,23Z-triacontadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 30:2

13E-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5+
inchikey: BDLLSHRIFPDGQB-AATRIKPKSA-N
monoisotopicmass: 2.82255881E2
label: 18:1(13E)
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_143770
abbrev: FA 18:1

14E-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5H,2-3,6-17H2,1H3,(H,19,20)/b5-4+
inchikey: JQBJOWDLTJOBRO-SNAWJCMRSA-N
monoisotopicmass: 2.82255881E2
label: 18:1(14E)
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_193173
abbrev: FA 18:1

14Z-octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5H,2-3,6-17H2,1H3,(H,19,20)/b5-4-
inchikey: JQBJOWDLTJOBRO-PLNGDYQASA-N
monoisotopicmass: 2.82255881E2
label: 18:1(14Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_196187
abbrev: FA 18:1

9E,11E,13Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9+
inchikey: CUXYLFPMQMFGPL-WJTNUVGISA-N
monoisotopicmass: 2.78224581E2
label: Catalpic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_180171
abbrev: FA 18:3

26:3(5Z,9Z,19E)
type: Class
formula: C26H46O2
inchikey: AVXZCQUJHUWUHY-JOIPDBNZSA-N
monoisotopicmass: 3.90349781E2
label: 5Z,9Z,19E-hexacosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:3

19:1(6Z)
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h13-14H,2-12,15-18H2,1H3,(H,20,21)/b14-13-
inchikey: CACIOTGFGVZSRC-YPKPFQOOSA-N
monoisotopicmass: 2.96271531E2
label: 6Z-nonadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196575
abbrev: FA 19:1

19:1(9Z)
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h10-11H,2-9,12-18H2,1H3,(H,20,21)/b11-10-
inchikey: YOKHLRHWEXTWJR-KHPPLWFESA-N
monoisotopicmass: 2.96271531E2
label: 9Z-nonadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_78443
abbrev: FA 19:1

11Z-nonadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h8-9H,2-7,10-18H2,1H3,(H,20,21)/b9-8-
inchikey: JDPDAWHZOMLJCH-HJWRWDBZSA-N
monoisotopicmass: 2.96271531E2
label: 19:1(11Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196574
abbrev: FA 19:1

29:2(5Z,9Z)
type: Class
formula: C29H54O2
inchikey: NZYGRGYXHPUIHY-GPIXMANTSA-N
monoisotopicmass: 4.34412381E2
label: 5Z,9Z-nonacosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 29:2

27:2(5Z,9Z)(6Br)
type: Class
formula: C27H49O2Br
inchikey: HJQVAHVCLKAUFE-TUGVHBDESA-N
monoisotopicmass: 4.84291591E2
label: 6-bromo-5Z,9Z-heptacosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

28:2(5Z,9Z)(6Br)
type: Class
formula: C28H51BrO2
inchikey: BLOVQWMQQANCQG-PLHFINIGSA-N
monoisotopicmass: 4.98307241E2
label: 6-bromo-5Z,9Z-octacosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_186480

29:2(5Z,9Z)(6Br)
type: Class
formula: C29H53BrO2
inchikey: AJFIACYWSVIDBM-PIIMCJBESA-N
monoisotopicmass: 5.12322891E2
label: 6-bromo-5Z,9Z-nonacosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

13:1(8)
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h5-6H,2-4,7-12H2,1H3,(H,14,15)/b6-5-
inchikey: DEBUFGLKBHVYMK-WAYWQWQTSA-N
monoisotopicmass: 2.1217763E2
label: 8Z-tridecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 13:1

13-methyl-4-pentadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16(17)18/h8,10,15H,3-7,9,11-14H2,1-2H3,(H,17,18)/b10-8-
inchikey: MUVLQWOCERFLPN-NTMALXAHSA-N
monoisotopicmass: 2.54224581E2
label: 15:1(4)(13Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179824
abbrev: FA 16:1

4Z-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h12-13H,2-11,14-15H2,1H3,(H,17,18)/b13-12-
inchikey: OXGMPGKZDZPDIF-SEYXRHQNSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_86140
abbrev: FA 16:1

15-methyl-4-heptadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20/h10,12,17H,3-9,11,13-16H2,1-2H3,(H,19,20)/b12-10-
inchikey: OPDYKGFCBUWRRR-BENRWUELSA-N
monoisotopicmass: 2.82255881E2
label: 17:1(4)(15Me)
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196188
abbrev: FA 18:1

14:2(6Z,9Z)
type: Class
formula: C14H24O2
inchi: InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6,8-9H,2-4,7,10-13H2,1H3,(H,15,16)/b6-5-,9-8-
inchikey: SEARIYKWBGIYQD-AFJQJTPPSA-N
monoisotopicmass: 2.2417763E2
label: 6,9-tetradecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:2

20:2(6,11)
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,14-15H,2-8,11-13,16-19H2,1H3,(H,21,22)/b10-9-,15-14-
inchikey: JCIGYPWFRJJJJC-KLGWIHQKSA-N
monoisotopicmass: 3.08271531E2
label: 6Z,11Z-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180353
abbrev: FA 20:2

19:2(5Z,9Z)
type: Class
formula: C19H34O2
inchi: InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h10-11,14-15H,2-9,12-13,16-18H2,1H3,(H,20,21)/b11-10-,15-14-
inchikey: JDWQYMIWIRVHMF-JPTBNZNUSA-N
monoisotopicmass: 2.94255881E2
label: 5Z,9Z-nonadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:2

20:2(5Z,9Z)
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12,15-16H,2-10,13-14,17-19H2,1H3,(H,21,22)/b12-11-,16-15-
inchikey: CMBQZQWDEKQNGW-ATNUXVQMSA-N
monoisotopicmass: 3.08271531E2
label: 5Z,9Z-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180354
abbrev: FA 20:2

24:2(5Z,9Z)
type: Class
formula: C24H44O2
inchikey: OVQSZVCJOZKJGA-UKTKCZHSSA-N
monoisotopicmass: 3.64334131E2
label: 5Z,9Z-tetracosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:2

15Z,18Z,21Z-Tetracosatrienoic acid
type: Class
formula: C24H42O2
inchikey: FMLZWXPBUZXGNQ-PDBXOOCHSA-N
monoisotopicmass: 3.62318481E2
label: 24:3(15Z,18Z,21Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187941
abbrev: FA 24:3

27:3(5Z,9Z,20Z)
type: Class
formula: C27H48O2
inchikey: DISUUZKGYKJRIF-RMOJKJCGSA-N
monoisotopicmass: 4.04365431E2
label: 5Z,9Z,20Z-Heptacosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186867
abbrev: FA 27:3

29:3(5Z,9Z,23Z)
type: Class
formula: C29H52O2
inchikey: ABIWRWMUWLVFEI-LDOUDTNPSA-N
monoisotopicmass: 4.32396731E2
label: 5Z,9Z,23Z-Nonacosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 29:3

17:4(2E,4E,9E,11E)(7Me[R],10Me,13Me[S])
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-5-6-10-17(2)13-15-19(4)16-14-18(3)11-8-7-9-12-20(21)22/h7-9,12-13,15-18H,5-6,10-11,14H2,1-4H3,(H,21,22)/b8-7+,12-9+,15-13+,19-16+/t17-,18+/m0/s1
inchikey: JTDJCVRRVWWYRM-WKXRJPBKSA-N
monoisotopicmass: 3.04240231E2
label: 7R,10,13S-trimethyl-2E,4E,9E,11E-heptadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

16:3(2E,9E,11E)(3Me,5Me[S],7My,15Me)
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-16(2)11-9-7-6-8-10-12-17(3)13-18(4)14-19(5)15-20(21)22/h6-8,10,15-16,18H,3,9,11-14H2,1-2,4-5H3,(H,21,22)/b7-6+,10-8+,19-15+/t18-/m0/s1
inchikey: OKFYWUOJDXMQSW-OEBVKYHASA-N
monoisotopicmass: 3.04240231E2
label: 3,5S,15-trimethyl-7-methylene-2E,9E,11E-hexadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

12Z-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h5-6H,2-4,7-16H2,1H3,(H,18,19)/b6-5-
inchikey: VDBZSBZPSBQBTG-WAYWQWQTSA-N
monoisotopicmass: 2.68240231E2
label: 17:1(12Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196112
abbrev: FA 17:1

13Z-nonadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h6-7H,2-5,8-18H2,1H3,(H,20,21)/b7-6-
inchikey: FQWSRDQVIFNBQE-SREVYHEPSA-N
monoisotopicmass: 2.96271531E2
label: 19:1(13Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_196576
abbrev: FA 19:1

21:1(7Z)
type: Class
formula: C21H40O2
inchikey: OCABBSNESRDYKI-PFONDFGASA-N
monoisotopicmass: 3.24302831E2
label: 7Z-heneicosenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197319
abbrev: FA 21:1

7Z-docosenoic acid
type: Class
formula: C22H42O2
inchikey: GPGDDEFYMGSXQS-NXVVXOECSA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180032
abbrev: FA 22:1

9Z-docosenoic acid
type: Class
formula: C22H42O2
inchikey: IABRXGNOPGPXAW-YPKPFQOOSA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180031
abbrev: FA 22:1

16Z-nonadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h3-4H,2,5-18H2,1H3,(H,20,21)/b4-3-
inchikey: WPTRWTPRXZSACO-ARJAWSKDSA-N
monoisotopicmass: 2.96271531E2
label: 19:1(16Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186877
abbrev: FA 19:1

5E-Tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,2-8,11-13H2,1H3,(H,15,16)/b10-9+
inchikey: AFGUVBVUFZMJMX-MDZDMXLPSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_89393
abbrev: FA 14:1

(S)-laballenic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12,14H,2-11,15-17H2,1H3,(H,19,20)/t13-/m1/s1
inchikey: YXJXBVWHSBEPDQ-CYBMUJFWSA-N
monoisotopicmass: 2.80240231E2
label: 5S,6-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_38402
abbrev: FA 18:2

28:7(n-6)
type: Class
formula: C28H42O2
inchikey: FQYWAQLILQWTQT-QAYSHOGESA-N
monoisotopicmass: 4.10318481E2
label: 4Z,7Z,10Z,13Z,16Z,19Z,22Z-octacosaheptaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180196
abbrev: FA 28:7

5Z,9Z-triacontadienoic acid
type: Class
formula: C30H56O2
inchikey: JBJAKZAOYBKUDH-LWTODMHQSA-N
monoisotopicmass: 4.48428031E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 30:2

(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-9H,10-17H2,1H3,(H,19,20)/b3-2+,5-4+,9-8-
inchikey: KDVOULUCGQGVQH-IUDSIRJBSA-N
monoisotopicmass: 2.7419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_191493
abbrev: FA 18:5

(2E)-tetracos-2-enoic acid
type: Class
formula: C24H46O2
inchikey: ULNRTPCFRBIMKL-GHVJWSGMSA-N
monoisotopicmass: 3.66349781E2
label: Tetracos-2E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

(E)-6-decenoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-5H,2-3,6-9H2,1H3,(H,11,12)/b5-4+
inchikey: IZOFWCYKCWUJBY-SNAWJCMRSA-N
monoisotopicmass: 1.7013068E2
label: 6E-decenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180230
abbrev: FA 10:1

2Z-hexacosenoic acid
type: Class
formula: C26H50O2
inchikey: HMFPLNNQWZGXAH-IZHYLOQSSA-N
monoisotopicmass: 3.94381081E2
label: cis-2-hexacosenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_52986
abbrev: FA 26:1

9E,11Z,13E-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7-,10-9+
inchikey: CUXYLFPMQMFGPL-MRZTUZPCSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_38383
abbrev: FA 18:3

(6E,9E,12E,15E,18E,21E)-tetracosa-6,9,12,15,18,21-hexaenoic acid
type: Class
formula: C24H36O2
inchikey: YHGJECVSSKXFCJ-SFGLVEFQSA-N
monoisotopicmass: 3.56271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_173140
abbrev: FA 24:6

but-2-enoic acid
type: Class
formula: C4H6O2
inchi: InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)
inchikey: LDHQCZJRKDOVOX-UHFFFAOYSA-N
monoisotopicmass: 8.603678E1
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_17217
abbrev: FA 4:1

(2E,4Z)-2-hydroxy-6-oxohexa-2,4-dienoic acid
type: Class
formula: C6H6O4
inchi: InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1-,5-3+
inchikey: KGLCZTRXNNGESL-REDYYMJGSA-N
monoisotopicmass: 1.4202661E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_67110
abbrev: FA 6:3;O2

(2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoic acid
type: Class
formula: C6H6O4
inchi: InChI=1S/C6H6O4/c7-4-3-5(8)1-2-6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3-
inchikey: NJOJKLHNRGFVOS-WFTYEQLWSA-N
monoisotopicmass: 1.4202661E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_67103
abbrev: FA 6:3;O2

(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoic acid
type: Class
formula: C60H116O3
inchikey: ICBYOMZTPOFWIV-QJDRYTGRSA-N
monoisotopicmass: 8.84892447E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_59553
abbrev: FA 60:2;O

(2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid
type: Class
formula: C6H8O3
inchi: InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4-
inchikey: VPGPQVKJUYKKNN-LDIADDGTSA-N
monoisotopicmass: 1.28047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_63735
abbrev: FA 6:2;O

(2Z,4Z)-hexa-2,4-dienoic acid
type: Class
formula: C6H8O2
inchi: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2-,5-4-
inchikey: WSWCOQWTEOXDQX-LDIADDGTSA-N
monoisotopicmass: 1.1205243E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38359
abbrev: FA 6:2

(3E)-2-Propylpent-3-enoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3+
inchikey: WTMAHJABDOHPDJ-HWKANZROSA-N
monoisotopicmass: 1.4209938E2
label: (3E)-2-propylpent-3-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195734
abbrev: FA 8:1

(3Z)-2-Propylpent-3-enoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3-
inchikey: WTMAHJABDOHPDJ-HYXAFXHYSA-N
monoisotopicmass: 1.4209938E2
label: (3Z)-2-propylpent-3-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_80640
abbrev: FA 8:1

(8E)-10-oxodec-8-enoic acid
type: Class
formula: C10H16O3
inchi: InChI=1S/C10H16O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,9H,1-4,6,8H2,(H,12,13)/b7-5+
inchikey: YUAQBOMIASXPQW-FNORWQNLSA-N
monoisotopicmass: 1.84109945E2
label: (E)-10-Oxo-8-decenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_168922
abbrev: FA 10:2;O

(4E)-oct-4-enoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h4-5H,2-3,6-7H2,1H3,(H,9,10)/b5-4+
inchikey: PFHBCQFBHMBAMC-SNAWJCMRSA-N
monoisotopicmass: 1.4209938E2
label: (E)-4-Octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180287
abbrev: FA 8:1

2,4,6-Octatriynoic acid
type: Class
formula: C8H4O2
inchi: InChI=1S/C8H4O2/c1-2-3-4-5-6-7-8(9)10/h1H3,(H,9,10)
inchikey: GYUOOLGIYHUJRP-UHFFFAOYSA-N
monoisotopicmass: 1.3202113E2
label: octa-2,4,6-triynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_185052
abbrev: FA 8:6

(2E,4E,7E)-deca-2,4,7-trienoic acid
type: Class
formula: C10H14O2
inchi: InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h3-4,6-9H,2,5H2,1H3,(H,11,12)/b4-3+,7-6+,9-8+
inchikey: VNIDZLOWFDROIW-SIRUGEDZSA-N
monoisotopicmass: 1.6609938E2
label: 2,4,7-Decatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_169457
abbrev: FA 10:3

2,4-dichlorohexa-2,4-dienedioic acid
type: Class
formula: C6H4O4Cl2
inchi: InChI=1S/C6H4Cl2O4/c7-3(2-5(9)10)1-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)
inchikey: FHXOPKKNGKBBKG-UHFFFAOYSA-N
monoisotopicmass: 2.09948666E2
label: 2,4-dichloromuconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_38409

(2E)-2,4-dimethylpent-2-enoic acid
type: Class
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-5(2)4-6(3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+
inchikey: DMHLGGQHOSTMJG-GQCTYLIASA-N
monoisotopicmass: 1.2808373E2
label: 2,4-Dimethyl-2-pentenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 7:1

(3Z)-buta-1,3-diene-1,1,4-tricarboxylic acid
type: Class
formula: C7H6O6
inchi: InChI=1S/C7H6O6/c8-5(9)3-1-2-4(6(10)11)7(12)13/h1-3H,(H,8,9)(H,10,11)(H,12,13)/b3-1-
inchikey: SLUDRBHRUDRZJZ-IWQZZHSRSA-N
monoisotopicmass: 1.8601644E2
label: 2-carboxy-cis,cis-muconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_17344
abbrev: FA 7:4;O4

2-chlorohexa-2,4-dienedioic acid
type: Class
formula: C6H5O4Cl
inchi: InChI=1S/C6H5ClO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,8,9)(H,10,11)
inchikey: OZNNVVBQWHRHHH-UHFFFAOYSA-N
monoisotopicmass: 1.75987638E2
label: 2-chloromuconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_38434

(2E)-2-propylpent-2-enoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+
inchikey: ZKNJEOBYOLUGKJ-FNORWQNLSA-N
monoisotopicmass: 1.4209938E2
label: 2-ene-Valproic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_80639
abbrev: FA 8:1

2-Hydroxy-22-methyltetracosanoic acid
type: Class
formula: C25H50O3
inchi: InChI=1S/C25H50O3/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(26)25(27)28/h23-24,26H,3-22H2,1-2H3,(H,27,28)
inchikey: IJYLBYZUFMZUOS-UHFFFAOYSA-N
monoisotopicmass: 3.98375996E2
label: 2-hydroxy-22-methyltetracosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_172636
abbrev: FA 25:0;O

2-hydroxy-6-oxohexa-2,4-dienoic acid
type: Class
formula: C6H6O4
inchi: InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)
inchikey: KGLCZTRXNNGESL-UHFFFAOYSA-N
monoisotopicmass: 1.4202661E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_17236
abbrev: FA 6:3;O2

(2Z)-2-methylpent-2-enoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4-
inchikey: JJYWRQLLQAKNAD-PLNGDYQASA-N
monoisotopicmass: 1.1406808E2
label: 2-Methyl-2-pentenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 6:1

2-Methyl-4-pentenoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
inchikey: HVRZYSHVZOELOH-UHFFFAOYSA-N
monoisotopicmass: 1.1406808E2
label: 2-methylpent-4-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_89267
abbrev: FA 6:1

3-chlorohexa-2,4-dienedioic acid
type: Class
formula: C6H5O4Cl
inchi: InChI=1S/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)
inchikey: ICMVYBXQDUXEEE-UHFFFAOYSA-N
monoisotopicmass: 1.75987638E2
label: 3-chloromuconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_38428

3-hydroxybut-2-enoic acid
type: Class
formula: C4H6O3
inchi: InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2,5H,1H3,(H,6,7)
inchikey: NVPCGXUWUBHZBD-UHFFFAOYSA-N
monoisotopicmass: 1.02031695E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_38871
abbrev: FA 4:1;O

3-Methylsubericacid
type: Class
formula: C9H16O4
inchi: InChI=1S/C9H16O4/c1-7(6-9(12)13)4-2-3-5-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)
inchikey: QIOYMVALOOEDDF-UHFFFAOYSA-N
monoisotopicmass: 1.8810486E2
label: 3-methylsuberic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_89847
abbrev: FA 9:1;O2

2-propylpent-4-enoic acid
type: Class
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)
inchikey: UMYDNZXEHYSVFY-UHFFFAOYSA-N
monoisotopicmass: 1.4209938E2
label: 4-ene-Valproic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_80634
abbrev: FA 8:1

4-Ethyloctanoic acid
type: Class
formula: C10H20O2
inchi: InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
inchikey: PWKJMPFEQOHBAC-UHFFFAOYSA-N
monoisotopicmass: 1.7214633E2
label: 4-ethyloctanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_179551
abbrev: FA 10:0

(4E)-4-formyl-3-(2-oxoethyl)hex-4-enoic acid
type: Class
formula: C9H12O4
inchi: InChI=1S/C9H12O4/c1-2-7(6-11)8(3-4-10)5-9(12)13/h2,4,6,8H,3,5H2,1H3,(H,12,13)/b7-2-
inchikey: DBMWDRVDXUPGBP-UQCOIBPSSA-N
monoisotopicmass: 1.8407356E2
label: 4-Formyl-3-(formylmethyl)-4-hexenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_169534
abbrev: FA 9:3;O2

(2Z)-4-methylpent-2-enoic acid
type: Class
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3-
inchikey: QAOXMQCWUWZZNC-ARJAWSKDSA-N
monoisotopicmass: 1.1406808E2
label: 4-Methyl-2-pentenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 6:1

5-Acetamidovalerate
type: Class
formula: C7H13NO3
inchi: InChI=1S/C7H13NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
inchikey: TZZSWAXSIGWXOS-UHFFFAOYSA-N
monoisotopicmass: 1.59089544E2
label: 5-acetamidopentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI 2024

(5E)-dec-5-enoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6H,2-4,7-9H2,1H3,(H,11,12)/b6-5+
inchikey: UJUXUEKQHBXUEM-AATRIKPKSA-N
monoisotopicmass: 1.7013068E2
label: 5-Decenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_180211
abbrev: FA 10:1

5-formyl-2-hydroxyhepta-2,4-dienedioic acid
type: Class
formula: C8H8O6
inchi: InChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/b5-1-,6-2-
inchikey: NLXIEJRQAIHYPN-IOBHVTPZSA-N
monoisotopicmass: 2.0003209E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_17142
abbrev: FA 8:4;O4

(6E)-8-methylnon-6-enoic acid
type: Class
formula: C10H18O2
inchi: InChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+
inchikey: OCALSPDXYQHUHA-FNORWQNLSA-N
monoisotopicmass: 1.7013068E2
label: 8-Methylnonenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_81581
abbrev: FA 10:1

(1Z)-but-1-ene-1,2,4-tricarboxylic acid
type: Class
formula: C7H8O6
inchi: InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/b4-3-
inchikey: BJYPZFUWWJSAKC-ARJAWSKDSA-N
monoisotopicmass: 1.8803209E2
label: but-1-ene-1,2,4-tricarboxylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_17516
abbrev: FA 7:3;O4

(2E,4Z)-2-hydroxyhexa-2,4-dienoic acid
type: Class
formula: C6H8O3
inchi: InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4+
inchikey: VPGPQVKJUYKKNN-AWYLAFAOSA-N
monoisotopicmass: 1.28047345E2
label: C11354
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI 1142
abbrev: FA 6:2;O

(2Z)-pent-2-enoic acid
type: Class
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
inchikey: YIYBQIKDCADOSF-ARJAWSKDSA-N
monoisotopicmass: 1.0005243E2
label: cis-pent-2-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38367
abbrev: FA 5:1

(3Z)-pent-3-enoic acid
type: Class
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2-
inchikey: UIUWNILCHFBLEQ-IHWYPQMZSA-N
monoisotopicmass: 1.0005243E2
label: cis-pent-3-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_38369
abbrev: FA 5:1

hept-2-enedioic acid
type: Class
formula: C7H10O4
inchi: InChI=1S/C7H10O4/c8-6(9)4-2-1-3-5-7(10)11/h2,4H,1,3,5H2,(H,8,9)(H,10,11)
inchikey: OXQWBLJQOBXJPM-UHFFFAOYSA-N
monoisotopicmass: 1.5805791E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_37260
abbrev: FA 7:2;O2

hexa-2,4-dienoic acid
type: Class
formula: C6H8O2
inchi: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)
inchikey: WSWCOQWTEOXDQX-UHFFFAOYSA-N
monoisotopicmass: 1.1205243E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_35962
abbrev: FA 6:2

(21E)-triacont-21-enoic acid
type: Class
formula: C30H58O2
inchikey: QXYCISFUJXCMSU-MDZDMXLPSA-N
monoisotopicmass: 4.50443681E2
label: Lumequic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 30:1

mediomycin A
type: Class
formula: C62H97NO18S
inchikey: RDEZRSOXSQHNOU-SMVKTZMVSA-N
monoisotopicmass: 1.175642641E3
label: (2E,4E,6E,10E,13S,14S,15R,16E,18E,20E,22E,24E,26E,33R,35S,36E,39S,41R,43S,44E,47R,49S,50E,53R,55S)-58-amino-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-(sulfooxy)octapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_66687

mediomycin B
type: Class
formula: C62H97NO15
inchikey: NVVJCDZZKMPNHL-LMFUHVRBSA-N
monoisotopicmass: 1.095685825E3
label: (2E,4E,6E,10E,13S,14S,15R,16E,18E,20E,22E,24E,26E,33R,35S,36E,39S,41R,43S,44E,47R,49S,50E,53R,55S)-58-amino-13,15,29,33,35,39,41,43,47,49,53,55-dodecahydroxy-2,12,14,30-tetramethyl-31-oxooctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_66688

penta-2,4-dienoic acid
type: Class
formula: C5H6O2
inchi: InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)
inchikey: SDVVLIIVFBKBMG-UHFFFAOYSA-N
monoisotopicmass: 9.803678E1
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_35964
abbrev: FA 5:2

(2E)-hexacos-2-enoic acid
type: Class
formula: C26H50O2
inchikey: HMFPLNNQWZGXAH-OCOZRVBESA-N
monoisotopicmass: 3.94381081E2
label: trans-2-hexacosenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_52984
abbrev: FA 26:1

19Z-Tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: XGAFLICMDZUMCB-WAYWQWQTSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

7-Hydroxy-10E-Hexadecen-8-ynoic acid
type: Class
formula: C16H26O3
inchi: InChI=1S/C16H26O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h6-7,15,17H,2-5,8,10-11,13-14H2,1H3,(H,18,19)/b7-6+
inchikey: AGJDSYBSWRQZQH-VOTSOKGWSA-N
monoisotopicmass: 2.66188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_186836
abbrev: FA 16:3;O

6-Hydroxyoctadeca-7,9-diynoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h17,19H,2-8,12-13,15-16H2,1H3,(H,20,21)
inchikey: APWVQFPFWVNZPF-UHFFFAOYSA-N
monoisotopicmass: 2.92203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4;O

9-hydroxy-10-Octadecen-12-ynoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+/t17-/m1/s1
inchikey: AUBZNAUZNGCKAN-GWKQRERASA-N
monoisotopicmass: 2.94219496E2
label: 9S-hydroxy-10E-Octadecen-12-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_186674
abbrev: FA 18:3;O

13-Tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: AVPORSRTKOSBPH-UHFFFAOYSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

8-Hydroxy-13E-octadecen-9,11-diynoic acid
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h5-6,17,19H,2-4,9-10,12-13,15-16H2,1H3,(H,20,21)/b6-5+
inchikey: BFYLXOBBDBQUMB-AATRIKPKSA-N
monoisotopicmass: 2.90188195E2
label: Bolekolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187244
abbrev: FA 18:5;O

Ajenoic acid
type: Class
formula: C12H14O2
inchi: InChI=1S/C12H14O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-10H,1,11H2,(H,13,14)/b4-3-,6-5-,8-7-,10-9-
inchikey: JSPNCMDQJNUPED-WKSFOPBCSA-N
monoisotopicmass: 1.9009938E2
label: Doodeca-3Z,5Z,7Z,9Z,11-pentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187499
abbrev: FA 12:5

Alvaradoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-11,14-17H2,(H,19,20)
inchikey: VTNSDMZVIKRPSZ-UHFFFAOYSA-N
monoisotopicmass: 2.78224581E2
label: Octa-dec-17-en-6-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:3

Alvaradonic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-9,12-17H2,(H,19,20)
inchikey: LOKGDWZGVSRJRI-UHFFFAOYSA-N
monoisotopicmass: 2.78224581E2
label: octa­dec-17-en-8-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:3

2E,4E-Tetra-decadiene-8,10-diynoic acid
type: Class
formula: C14H16O2
inchi: InChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10-13H,2-3,8-9H2,1H3,(H,15,16)/b11-10+,13-12+
inchikey: SLBUWUXQGGWEOM-AQASXUMVSA-N
monoisotopicmass: 2.1611503E2
label: Anacyclic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186785
abbrev: FA 14:6

9-hydroxy-9E,16Z-octadecadiene-12,14-diynoic acid
type: Class
formula: C18H24O3
inchi: InChI=1S/C18H24O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h2-3,14,19H,7,9-13,15-16H2,1H3,(H,20,21)/b3-2-,17-14+
inchikey: YGKPGQOXPTVNFQ-VHDWVOKZSA-N
monoisotopicmass: 2.88172545E2
label: Athanacalvic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:5;O

5Z,8Z,10E,12E,14Z-eicosapenta-enoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-13,15-16H,2-5,14,17-19H2,1H3,(H,21,22)/b7-6-,9-8+,11-10+,13-12-,16-15-
inchikey: QQXWWCIEPUFZQL-JMFSJNRSSA-N
monoisotopicmass: 3.02224581E2
label: Bosseopentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:5

16R-hydroxy-octadeca-9Z,17-diene-12,14-diynoic acid
type: Class
formula: C18H24O3
inchi: InChI=1S/C18H24O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h2-3,5,17,19H,1,4,6-8,10,12,14,16H2,(H,20,21)/b5-3-/t17-/m1/s1
inchikey: HQHIHSWDBHBMOJ-MAVJXHJTSA-N
monoisotopicmass: 2.88172545E2
label: Dendrotrifidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 18:6;O

7Z,11Z-eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,13-14H,2-8,11-12,15-19H2,1H3,(H,21,22)/b10-9-,14-13-
inchikey: MUFQONOUPUARDB-KWUOUXIESA-N
monoisotopicmass: 3.08271531E2
label: Dihomotaxoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:2

4-hydroxyundeca-5,6-diene-8,10-diynoic acid
type: Class
formula: C11H10O3
inchi: InChI=1S/C11H10O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h1,5,7,10,12H,8-9H2,(H,13,14)
inchikey: DOCWUDHOAPAYAN-UHFFFAOYSA-N
monoisotopicmass: 1.90062995E2
label: Nemotinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_168159
abbrev: FA 11:6;O

8Z,11Z-heptadecadienoic acid
type: Class
formula: C17H30O2
inchi: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h6-7,9-10H,2-5,8,11-16H2,1H3,(H,18,19)/b7-6-,10-9-
inchikey: ZYJWXPONROMNOE-HZJYTTRNSA-N
monoisotopicmass: 2.66224581E2
label: Norlinoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:2

Eicosa-7,8-dienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h12,14H,2-11,15-19H2,1H3,(H,21,22)
inchikey: IDIFLXHHWAEGTC-UHFFFAOYSA-N
monoisotopicmass: 3.08271531E2
label: Phlomic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:2

10Z-octadecen-8-ynoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9H,2-7,12-17H2,1H3,(H,19,20)/b9-8-
inchikey: LYAZOPAKEWHIMH-HJWRWDBZSA-N
monoisotopicmass: 2.78224581E2
label: Xionenynic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:3

2Z-decene-4,6-diynoic acid
type: Class
formula: C10H10O2
inchi: InChI=1S/C10H10O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-3H2,1H3,(H,11,12)/b9-8-
inchikey: LGRWEGSQTDGYDD-HJWRWDBZSA-N
monoisotopicmass: 1.6206808E2
label: cis-Lachnophyllic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187488
abbrev: FA 10:5

2E,4E,6E,8E,10E,12E-tetradecahexaenedioic acid
type: Class
formula: C14H14O4
inchi: InChI=1S/C14H14O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H,(H,15,16)(H,17,18)/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
inchikey: PXPBPRNNNVMUEY-CZBFJCMTSA-N
monoisotopicmass: 2.4608921E2
label: Corticrocin
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_174273
abbrev: FA 14:7;O2

2E-decene-4,6,8-triynoic acid
type: Class
formula: C10H6O2
inchi: InChI=1S/C10H6O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,1H3,(H,11,12)/b9-8+
inchikey: IXWGFASHDDQZDI-CMDGGOBGSA-N
monoisotopicmass: 1.5803678E2
label: Dehydromatricaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186777
abbrev: FA 10:7

11Z,14Z-eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-
inchikey: XSXIVVZCUAHUJO-HZJYTTRNSA-N
monoisotopicmass: 3.08271531E2
label: Dihomolinoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_73731
equivalent class: SLM_000001088
abbrev: FA 20:2

3Z,9,10-undecatriene-5,7-diynoic acid
type: Class
formula: C11H8O2
inchi: InChI=1S/C11H8O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h3,8-9H,1,10H2,(H,12,13)/b9-8-
inchikey: WLBLOEHLZMSYSA-HJWRWDBZSA-N
monoisotopicmass: 1.7205243E2
label: Drosophilin D
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 11:7

3Z,5Z-tridecadiene-7,9,11-triynoic acid
type: Class
formula: C13H10O2
inchi: InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h8-11H,12H2,1H3,(H,14,15)/b9-8-,11-10-
inchikey: HCPADGVIDOCFKJ-XESWYYRISA-N
monoisotopicmass: 1.9806808E2
label: Isomycomycin
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 13:8

2Z,8E-decadiene-4,6-diynoic acid
type: Class
formula: C10H8O2
inchi: InChI=1S/C10H8O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,8-9H,1H3,(H,11,12)/b3-2+,9-8-
inchikey: XFJJYWHEBHHXPH-BVCYWKNDSA-N
monoisotopicmass: 1.6005243E2
label: Z,E-Matricaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 10:6

7E-Octadecen-9-ynoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,2-8,13-17H2,1H3,(H,19,20)/b12-11+
inchikey: BWSIKEZDJMZITO-VAWYXSNFSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:3

9,11,13-Octadecatriynoic acid
type: Class
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-4,11-17H2,1H3,(H,19,20)
inchikey: CBWJECXEMSFLLW-UHFFFAOYSA-N
monoisotopicmass: 2.7217763E2
label: Octadecatri-9,11,13-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:6

12Z,15Z,18Z-Tetracosatrienoic acid
type: Class
formula: C24H42O2
inchikey: CBYBSPWYAMMHKL-QNEBEIHSSA-N
monoisotopicmass: 3.62318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:3

4Z,7Z-Hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,17,18)/b10-9-,13-12-
inchikey: CQHASUVQRDMWKB-UTJQPWESSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:2

8E,10E-Octadecadien-12-ynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-11H,2-5,12-17H2,1H3,(H,19,20)/b9-8+,11-10+
inchikey: DTTMENSUKKOUKN-BNFZFUHLSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

Methyl 7Z,11Z-Hexadecadienoate
type: Class
formula: C17H30O2
inchi: InChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3/b7-6-,11-10-
inchikey: FEFQAJVEHZNTHP-QOXWLJPHSA-N
monoisotopicmass: 2.66224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 17:2

2Z,4E,6Z-Decatrienoic acid
type: Class
formula: C10H14O2
inchi: InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-9H,2-3H2,1H3,(H,11,12)/b5-4-,7-6+,9-8-
inchikey: FELONIKRCJBDIO-AOXGSFFOSA-N
monoisotopicmass: 1.6609938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 10:3

2E,4E,6Z-Decatrienoic acid
type: Class
formula: C10H14O2
inchi: InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-9H,2-3H2,1H3,(H,11,12)/b5-4-,7-6+,9-8+
inchikey: FELONIKRCJBDIO-AYTOVCQNSA-N
monoisotopicmass: 1.6609938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 10:3

3Z,9Z,12Z-Octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,15-16H,2-5,8,11-14,17H2,1H3,(H,19,20)/b7-6-,10-9-,16-15-
inchikey: FEWFGHQMEYATJR-URZBRJKDSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:3

Methyl 8-hydroxy-11E,17-Octadecadien-9-ynoate
type: Class
formula: C19H30O3
inchi: InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-12-15-18(20)16-13-10-11-14-17-19(21)22-2/h3,8-9,18,20H,1,4-7,10-11,13-14,16-17H2,2H3/b9-8+
inchikey: FSRPQTYQXGVZDZ-CMDGGOBGSA-N
monoisotopicmass: 3.06219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_173220
abbrev: FA 19:4;O

3Z,5E,7E-Decatrienoic acid
type: Class
formula: C10H14O2
inchi: InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h3-8H,2,9H2,1H3,(H,11,12)/b4-3+,6-5+,8-7-
inchikey: FVIISBOXJVOMEB-CQXHLCGLSA-N
monoisotopicmass: 1.6609938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 10:3

3E,5Z,7E-Decatrienoic acid
type: Class
formula: C10H14O2
inchi: InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h3-8H,2,9H2,1H3,(H,11,12)/b4-3+,6-5-,8-7+
inchikey: FVIISBOXJVOMEB-GFCVGDSUSA-N
monoisotopicmass: 1.6609938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 10:3

10Z,12E-Octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6+,9-8-
inchikey: GKJZMAHZJGSBKD-MUIOLIGRSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:2

9Z,11Z,14Z-Eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-12H,2-5,8,13-19H2,1H3,(H,21,22)/b7-6-,10-9-,12-11-
inchikey: GSAJQEXPENBTRT-NOVKEFSLSA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

13E,17-Octadecadiene-9,11-diynoic acid
type: Class
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,5-6H,1,3-4,11-17H2,(H,19,20)/b6-5+
inchikey: GYLJVPBWGZUNMB-AATRIKPKSA-N
monoisotopicmass: 2.7217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:6

14,15-Dehydrocrepenynic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,9-10H,2-3,8,11-17H2,1H3,(H,19,20)/b5-4-,10-9-
inchikey: HJYQCZVMQAYTMN-ACHWKMRWSA-N
monoisotopicmass: 2.7620893E2
label: 9Z,14Z-Octadecadien-12-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197030
abbrev: FA 18:4

6-Eicosynoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-13,16-19H2,1H3,(H,21,22)
inchikey: HLNQNCPNBDSXTO-UHFFFAOYSA-N
monoisotopicmass: 3.08271531E2
label: Eicos-6-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:2

8-hydroxy-13E,17-Octadecadiene-9,11-diynoic acid
type: Class
formula: C18H24O3
inchi: InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,5-6,17,19H,1,3-4,9-10,12-13,15-16H2,(H,20,21)/b6-5+
inchikey: HXOKXQYTUYIBDT-AATRIKPKSA-N
monoisotopicmass: 2.88172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:6;O

4E,6E,12Z-Tetradecatriene-8,10-diynoic acid
type: Class
formula: C14H14O2
inchi: InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3,8-11H,12-13H2,1H3,(H,15,16)/b3-2-,9-8+,11-10+
inchikey: HXXDRCQLLBCTPQ-ULTUQXKFSA-N
monoisotopicmass: 2.1409938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186688
abbrev: FA 14:7

7-hydroxy-10E-Heptadecen-8-ynoic acid
type: Class
formula: C17H28O3
inchi: InChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-10-13-16(18)14-11-9-12-15-17(19)20/h7-8,16,18H,2-6,9,11-12,14-15H2,1H3,(H,19,20)/b8-7+
inchikey: IHRRJGGTQOBZEY-BQYQJAHWSA-N
monoisotopicmass: 2.80203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 17:3;O

7Z,11E-Octadecadien-9-ynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,11-12H,2-6,13-17H2,1H3,(H,19,20)/b8-7+,12-11-
inchikey: IOWMGGBYHCCEJN-MDFXNHGISA-N
monoisotopicmass: 2.7620893E2
label: Heisteric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:4

8-Oxo-17-octadecen-10,12-diynoic acid
type: Class
formula: C18H24O3
inchi: InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2H,1,3-5,9-10,12-16H2,(H,20,21)
inchikey: IQGYACGOYNDOBT-UHFFFAOYSA-N
monoisotopicmass: 2.88172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:6;O

7Z,11Z,14Z,17Z-Eicosatetraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,13-14H,2,5,8,11-12,15-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,14-13-
inchikey: IXJFGZLSJJNVKJ-XRPCLMINSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:4

3Z,6Z,9Z-Eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12,14-15,17-18H,2-10,13,16,19H2,1H3,(H,21,22)/b12-11-,15-14-,18-17-
inchikey: JNDHVOQSRQTFGP-IHDWIWDKSA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

15Z,18Z-Tetracosadienoic acid
type: Class
formula: C24H44O2
inchikey: JPKKOZHFQFEMQE-HZJYTTRNSA-N
monoisotopicmass: 3.64334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:2

11-Heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h6-7H,2-5,8-16H2,1H3,(H,18,19)
inchikey: KBXHUPLWJKJJER-UHFFFAOYSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:1

2Z,5Z,8Z,11Z-Hexadecatetraenoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6,8-9,11-12,14-15H,2-4,7,10,13H2,1H3,(H,17,18)/b6-5-,9-8-,12-11-,15-14-
inchikey: KKUJZJATEHIVBG-AFSLFLIVSA-N
monoisotopicmass: 2.4817763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:4

9Z-Tricosenoic acid
type: Class
formula: C23H44O2
inchikey: KXFRDCNURJWFIF-PFONDFGASA-N
monoisotopicmass: 3.52334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 23:1

9,12-Heptadecadienoic acid
type: Class
formula: C17H30O2
inchi: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h5-6,8-9H,2-4,7,10-16H2,1H3,(H,18,19)
inchikey: LEIXEEFBKOMCEQ-UHFFFAOYSA-N
monoisotopicmass: 2.66224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187425
abbrev: FA 17:2

8-hydroxy-5,6-Octadienoic acid
type: Class
formula: C8H12O3
inchi: InChI=1S/C8H12O3/c9-7-5-3-1-2-4-6-8(10)11/h1,5,9H,2,4,6-7H2,(H,10,11)
inchikey: LNDWPMYWLUFZEI-UHFFFAOYSA-N
monoisotopicmass: 1.56078645E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_169068
abbrev: FA 8:2;O

21Z-Hexacosenoic acid
type: Class
formula: C26H50O2
inchikey: LOPUZVZRKUDIEQ-WAYWQWQTSA-N
monoisotopicmass: 3.94381081E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:1

5Z,9Z,12Z-Eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h8-9,11-12,15-16H,2-7,10,13-14,17-19H2,1H3,(H,21,22)/b9-8-,12-11-,16-15-
inchikey: LRYXBPZAMYRWHM-UCVSHGSNSA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

5Z-Nonadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h14-15H,2-13,16-18H2,1H3,(H,20,21)/b15-14-
inchikey: NAWKZEPUYLURSW-PFONDFGASA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:1

14Z-Hexacosenoic acid
type: Class
formula: C26H50O2
inchikey: NCYLXHWDHMPCHF-SEYXRHQNSA-N
monoisotopicmass: 3.94381081E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:1

8Z-Hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h8-9H,2-7,10-15H2,1H3,(H,17,18)/b9-8-
inchikey: NJTVGRDDFBKQLU-HJWRWDBZSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187665
abbrev: FA 16:1

6E-Hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10+
inchikey: NNNVXFKZMRGJPM-ZHACJKMWSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_165483
abbrev: FA 16:1

13,16-Octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,5-6H,4,7-17H2,1H3,(H,19,20)
inchikey: NWHQABJQXFAPON-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:2

17Z-Tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: OGQIJHRKHPDBAV-FPLPWBNLSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

5E,11Z,14Z-Eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11-14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,16-15+
inchikey: PRHHYVQTPBEDFE-XTEDJDMISA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

2E,4E,6E,12E-Tetradecatetraene-8,10-diynoic acid
type: Class
formula: C14H12O2
inchi: InChI=1S/C14H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3,8-13H,1H3,(H,15,16)/b3-2+,9-8+,11-10+,13-12+
inchikey: PTIKOWATZQTTGA-VJPDNLQHSA-N
monoisotopicmass: 2.1208373E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_193329
abbrev: FA 14:8

2E,4E,6E,12Z-Tetradecatetraene-8,10-diynoic acid
type: Class
formula: C14H12O2
inchi: InChI=1S/C14H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3,8-13H,1H3,(H,15,16)/b3-2-,9-8+,11-10+,13-12+
inchikey: PTIKOWATZQTTGA-VMXWFELESA-N
monoisotopicmass: 2.1208373E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:8

11E,17-Octadecadien-9-ynoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,7-8H,1,3-6,11-17H2,(H,19,20)/b8-7+
inchikey: PVLHKMGYBLUVEL-BQYQJAHWSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_189037
abbrev: FA 18:4

6Z,9Z-Eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12,14-15H,2-10,13,16-19H2,1H3,(H,21,22)/b12-11-,15-14-
inchikey: QWVZYXRDWKNGMW-HDXUUTQWSA-N
monoisotopicmass: 3.08271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:2

10-Octadecenoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9H,2-7,10-17H2,1H3,(H,19,20)
inchikey: QXJSBBXBKPUZAA-UHFFFAOYSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:1

5E,11Z-Eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,15-16H,2-8,11-14,17-19H2,1H3,(H,21,22)/b10-9-,16-15+
inchikey: RCYNQXHBZULXMM-UEPWTKMESA-N
monoisotopicmass: 3.08271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:2

6,9,12-Hexadecatrienoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)
inchikey: SBEXLJDCZSJDLW-UHFFFAOYSA-N
monoisotopicmass: 2.5019328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:3

10Z-Eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h10-11H,2-9,12-19H2,1H3,(H,21,22)/b11-10-
inchikey: SGKRVEFZHKULNA-KHPPLWFESA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:1

Tetradecan-7,9-diynoic acid
type: Class
formula: C14H20O2
inchi: InChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-4,9-13H2,1H3,(H,15,16)
inchikey: UDDQRZKIDJCZJF-UHFFFAOYSA-N
monoisotopicmass: 2.2014633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_173200
abbrev: FA 14:4

11,13-Eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-10H,2-6,11-19H2,1H3,(H,21,22)
inchikey: UNFHLCKMPAPDAZ-UHFFFAOYSA-N
monoisotopicmass: 3.08271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:2

7,10-Octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9,11-12H,2-7,10,13-17H2,1H3,(H,19,20)
inchikey: UNQVCNJXEMDZNO-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:2

10E-Pentadecen-6,8-diynoic acid
type: Class
formula: C15H20O2
inchi: InChI=1S/C15H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6H,2-4,11-14H2,1H3,(H,16,17)/b6-5+
inchikey: VLPCQMHZJMTSIW-AATRIKPKSA-N
monoisotopicmass: 2.3214633E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186712
abbrev: FA 15:5

6Z-Eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h14-15H,2-13,16-19H2,1H3,(H,21,22)/b15-14-
inchikey: VOPBLMPBKXUWGM-PFONDFGASA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:1

7Z,11Z,14Z-Hexadecatrienoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,5-6,9-10H,4,7-8,11-15H2,1H3,(H,17,18)/b3-2-,6-5-,10-9-
inchikey: VOXVYOZINBUKMD-DNCVSKIPSA-N
monoisotopicmass: 2.5019328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:3

12Z-Octadecen-7,9-diynoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7H,2-5,8,13-17H2,1H3,(H,19,20)/b7-6-
inchikey: WMAMGZISNJIRAE-SREVYHEPSA-N
monoisotopicmass: 2.7419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_184834
abbrev: FA 18:5

2Z,8Z-Decadiene-4,6-diynoic acid
type: Class
formula: C10H8O2
inchi: InChI=1S/C10H8O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,8-9H,1H3,(H,11,12)/b3-2-,9-8-
inchikey: XFJJYWHEBHHXPH-FUOWLQLWSA-N
monoisotopicmass: 1.6005243E2
label: Z,Z-Matricaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 10:6

14,17-Octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,4-5H,1,3,6-17H2,(H,19,20)
inchikey: XUJZXUBHXZOWMW-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187051
abbrev: FA 18:2

3E-Eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h17-18H,2-16,19H2,1H3,(H,21,22)/b18-17+
inchikey: ZGCMECMZNBYNRC-ISLYRVAYSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:1

6Z,10Z,14Z-Hexadecatrienoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,6-7,10-11H,4-5,8-9,12-15H2,1H3,(H,17,18)/b3-2-,7-6-,11-10-
inchikey: ZKCRKOCVERWCLP-ATYPIPSVSA-N
monoisotopicmass: 2.5019328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_168953
abbrev: FA 16:3

10,13-Octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6,8-9H,2-4,7,10-17H2,1H3,(H,19,20)
inchikey: ZODRLJLUCBBQSJ-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:2

Octadeca-8,10,12-triynoic acid
type: Class
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,12-17H2,1H3,(H,19,20)
inchikey: ZRDMQHHJJMWDNV-UHFFFAOYSA-N
monoisotopicmass: 2.7217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:6

6,8,10-Pentadecatriynoic acid
type: Class
formula: C15H18O2
inchi: InChI=1S/C15H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-4,11-14H2,1H3,(H,16,17)
inchikey: ZRUBGTBVDWZJCR-UHFFFAOYSA-N
monoisotopicmass: 2.3013068E2
label: Pentadecatri-6,8,10-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186706
abbrev: FA 15:6

11Z-Hexadecen-7,9-diynoic acid
type: Class
formula: C16H22O2
inchi: InChI=1S/C16H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,11-15H2,1H3,(H,17,18)/b6-5-
inchikey: ZYKRBUYXWXJLBD-WAYWQWQTSA-N
monoisotopicmass: 2.4616198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_187858
abbrev: FA 16:5

9Z,12Z,15Z-octadecatrien-6-ynoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
inchikey: UXMMIMGEKFYPFK-PDBXOOCHSA-N
monoisotopicmass: 2.7419328E2
label: Dicranin
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_65768
abbrev: FA 18:5

20Z-nonacosenoic acid
type: Class
formula: C29H56O2
inchikey: QNBWRUDREZEBQP-KTKRTIGZSA-N
monoisotopicmass: 4.36428031E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 29:1

25Z-Tetratriacontenoic acid
type: Class
formula: C34H66O2
inchikey: SKNHDOZTVAQKFO-KTKRTIGZSA-N
monoisotopicmass: 5.06506281E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 34:1

18Z-heptacosenoic acid
type: Class
formula: C27H52O2
inchikey: FFEYYWMFTZHUNB-KTKRTIGZSA-N
monoisotopicmass: 4.08396731E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 27:1

22Z-Hentriacontenoic acid
type: Class
formula: C31H60O2
inchikey: YGEBMTZEPHPZQK-KTKRTIGZSA-N
monoisotopicmass: 4.64459331E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 31:1

4-hydroxy-5,6-dodecadiene-8,10-diynoic acid
type: Class
formula: C12H12O3
inchi: InChI=1S/C12H12O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h6,8,11,13H,9-10H2,1H3,(H,14,15)/t7-,11?/m0/s1
inchikey: JBHZDNMPKRGXNW-RGENBBCFSA-N
monoisotopicmass: 2.04078645E2
label: Odyssic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 12:6;O

5Z,9Z,12Z-heptadecatrienoic acid
type: Class
formula: C17H28O2
inchi: InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h5-6,8-9,12-13H,2-4,7,10-11,14-16H2,1H3,(H,18,19)/b6-5-,9-8-,13-12-
inchikey: BBKXRISLVPKIPJ-NLDSCFMSSA-N
monoisotopicmass: 2.6420893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:3

5Z,8Z,11E,14Z,17Z-eicosapentaenoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9+,13-12-,16-15-
inchikey: JAZBEHYOTPTENJ-IKHGVYGUSA-N
monoisotopicmass: 3.02224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:5

5Z,8Z,11E,14Z,17E-eicosapentaenoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3+,7-6-,10-9+,13-12-,16-15-
inchikey: JAZBEHYOTPTENJ-VNTCEETBSA-N
monoisotopicmass: 3.02224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:5

16Z-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h4-5H,2-3,6-19H2,1H3,(H,21,22)/b5-4-
inchikey: NSGWRVBQRUTMPS-PLNGDYQASA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_193169
abbrev: FA 20:1

11Z-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: PUAQHEAHUKHXMC-YPKPFQOOSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

5Z-pentacosenoic acid
type: Class
formula: C25H48O2
inchikey: NLNVSLYJIFQEBK-MRCUWXFGSA-N
monoisotopicmass: 3.80365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 25:1

11Z-hexacosenoic acid
type: Class
formula: C26H50O2
inchikey: BLZVSNKEVRUFLF-NXVVXOECSA-N
monoisotopicmass: 3.94381081E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:1

11Z-octacosenoic acid
type: Class
formula: C28H54O2
inchikey: KPSSWFAXMDAEFC-ZCXUNETKSA-N
monoisotopicmass: 4.22412381E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 28:1

17Z,21Z-hexacosadienoic acid
type: Class
formula: C26H48O2
inchikey: KZUMDSZMHVFWIB-WBHJMADESA-N
monoisotopicmass: 3.92365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:2

19Z,23Z-octacosadienoic acid
type: Class
formula: C28H52O2
inchikey: ANAILEXVGUZVRV-WBHJMADESA-N
monoisotopicmass: 4.20396731E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 28:2

5Z,9Z,21Z-hexacosatrienoic acid
type: Class
formula: C26H46O2
inchikey: ZQDRALTVWXQWTF-KSJLKCSLSA-N
monoisotopicmass: 3.90349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 26:3

5Z,9Z,25Z-triacontatrienoic acid
type: Class
formula: C30H54O2
inchikey: HGMWSICOJSCIMV-POJZFQNESA-N
monoisotopicmass: 4.46412381E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 30:3

31-hydroxy-4Z,18Z,29E-tritriacontatrien-2,32-diynoic acid
type: Class
formula: C33H52O3
inchi: InChI=1S/C33H52O3/c1-2-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)36/h1,6,8,25,27-28,30,32,34H,3-5,7,9-24,26H2,(H,35,36)/b8-6-,27-25-,30-28+
inchikey: IFPTUQDJYQOXAI-JGVVYTLBSA-N
monoisotopicmass: 4.96391646E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_193426
abbrev: FA 33:7;O

6Z,8E-tricosdien-4,19-diynoic acid
type: Class
formula: C23H34O2
inchikey: ACLJSIICSRNJNW-FQASWMIKSA-N
monoisotopicmass: 3.42255881E2
label: Carduusyne A
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186116
abbrev: FA 23:6

3E,5Z,7,8-tridecatetraene-10,12-diynoic acid
type: Class
formula: C13H10O2
inchi: InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h1,5,7-11H,12H2,(H,14,15)/b9-8-,11-10+
inchikey: APNPVBXEWGCCLU-QNRZBPGKSA-N
monoisotopicmass: 1.9806808E2
label: Mycomycin
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_32385
abbrev: FA 13:8

9-oxo-2Z,4,5,7Z-decatetraenoic acid
type: Class
formula: C10H10O3
inchi: InChI=1S/C10H10O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h3-8H,1H3,(H,12,13)/b7-5-,8-6-
inchikey: WLUIOVBNENBQAH-SFECMWDFSA-N
monoisotopicmass: 1.78062995E2
label: Antibiotic LA-1
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 10:5;O

(S)-5-((1E,3Z,6Z,12Z,15Z)octadeca-1,3,6,9,12,15-hexaen-1-yl)dihydrofuran-2-(3)-one
type: Class
formula: C22H30O2
inchikey: WCLSJZFZJIIXNP-HBUOOPIGSA-N
monoisotopicmass: 3.26224581E2
label: Zooxanthellactone
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:7

10(R)-hydroxy-8Z-octadeceneic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12-/t17-/m1/s1
inchikey: RXBFKZNLXJKTLQ-MLRPBERTSA-N
monoisotopicmass: 2.98250796E2
label: 10(R)-hydroxyoctadec-8Z-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:1;O

10(S)-hydroxy-8E-octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m0/s1
inchikey: RXBFKZNLXJKTLQ-VMEIHUARSA-N
monoisotopicmass: 2.98250796E2
label: 10(S)-hydroxyoctadec-8E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_75828
abbrev: FA 18:1;O

2,6-hexadeca-diynoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-9,12-13H2,1H3,(H,17,18)
inchikey: UWTVDTALXKUTPC-UHFFFAOYSA-N
monoisotopicmass: 2.4817763E2
label: 2,6-hexadecadiynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:4

16-heptadecen-12-ynoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-4,7-17H2,(H,19,20)
inchikey: ZYZKYZWHOHNYPG-UHFFFAOYSA-N
monoisotopicmass: 2.78224581E2
label: Scleropyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:3

(9Z,16Z)-octadeca-9,16-dien-12,14-diynoic acid
type: Class
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,9-10H,8,11-17H2,1H3,(H,19,20)/b3-2-,10-9-
inchikey: IGJLJPLDUJBVCQ-KUCYNYLMSA-N
monoisotopicmass: 2.7217763E2
label: Octadeca-9,16-dien-12,14-diynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187571
abbrev: FA 18:6

(Z)-octadeca-9-en-12,14,16-triynoic acid
type: Class
formula: C18H22O2
inchi: InChI=1S/C18H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,8,11-17H2,1H3,(H,19,20)/b10-9-
inchikey: HBPHBEHMXIJPJW-KTKRTIGZSA-N
monoisotopicmass: 2.7016198E2
label: Octadeca-9-en-12,14,16-triynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_185680
abbrev: FA 18:7

Deca-2,4,6-triynedioic acid
type: Class
formula: C10H6O4
inchi: InChI=1S/C10H6O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h5,7H2,(H,11,12)(H,13,14)
inchikey: AXNJDXRYHHYANB-UHFFFAOYSA-N
monoisotopicmass: 1.9002661E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_186827
abbrev: FA 10:7;O2

(-)-Mycomycin
type: Class
formula: C14H12O2
inchi: InChI=1S/C14H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6,8-12H,13H2,1H3,(H,15,16)/b10-9+,12-11+
inchikey: FYRXMBRLTCXLBI-HULFFUFUSA-N
monoisotopicmass: 2.1208373E2
label: (3E,5E)-tetradeca-3,5,7,8-tetraen-10,12-diynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:8

6-hydroxytriadeca-7,8-dien-10,12-diynoic acid
type: Class
formula: C13H14O3
inchi: InChI=1S/C13H14O3/c1-2-3-4-5-6-9-12(14)10-7-8-11-13(15)16/h1,5,9,12,14H,7-8,10-11H2,(H,15,16)
inchikey: WVRANUKWDFBAOQ-UHFFFAOYSA-N
monoisotopicmass: 2.18094295E2
label: 6-hydroxytrideca-7,8-dien-10,12-diynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 14:6;O

(Z)-16-hydroxyoctadeca-9,17-dien-12,14-diynoic acid
type: Class
formula: C18H24O3
inchi: InChI=1S/C18H24O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h2-3,5,17,19H,1,4,6-8,10,12,14,16H2,(H,20,21)/b5-3-
inchikey: HQHIHSWDBHBMOJ-HYXAFXHYSA-N
monoisotopicmass: 2.88172545E2
label: 16-hydroxyoctadeca-9Z,17-dien-12,14-diynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:6;O

(Z)-16-oxo-octadeca-9,17-dien-12,14-diynoic acid
type: Class
formula: C18H22O3
inchi: InChI=1S/C18H22O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h2-3,5H,1,4,6-8,10,12,14,16H2,(H,20,21)/b5-3-
inchikey: RDXYIPKEXLIJQI-HYXAFXHYSA-N
monoisotopicmass: 2.86156895E2
label: 16-oxo-octadeca-9Z,17-dien-12,14-diynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:7;O

(13E,15E)-octadeca-13,15-dien-9,11-diynoic acid
type: Class
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-6H,2,11-17H2,1H3,(H,19,20)/b4-3+,6-5+
inchikey: GRMCZPDVOZMAGO-VNKDHWASSA-N
monoisotopicmass: 2.7217763E2
label: Octadeca-13E,15E-dien-9,11-diynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:6

7-eicosynoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-12,15-19H2,1H3,(H,21,22)
inchikey: TVFMCMURTRXDMN-UHFFFAOYSA-N
monoisotopicmass: 3.08271531E2
label: Eicos-7-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:2

7-octadec-17-en-ynoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-10,13-17H2,(H,19,20)
inchikey: CEGDGFKMCKNZJY-UHFFFAOYSA-N
monoisotopicmass: 2.78224581E2
label: Octadec-17-en-7-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:3

(E)-octadeca-15,17-dien-9,11,13-triynoic acid
type: Class
formula: C18H20O2
inchi: InChI=1S/C18H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-4H,1,11-17H2,(H,19,20)/b4-3+
inchikey: AFPIFUWZTJSLOR-ONEGZZNKSA-N
monoisotopicmass: 2.6814633E2
label: Octadeca-15,17-(E)-dien-9,11,13-triynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187543
abbrev: FA 18:8

(E)-octadeca-15-en-9,11,13-triynoic acid
type: Class
formula: C18H22O2
inchi: InChI=1S/C18H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,11-17H2,1H3,(H,19,20)/b4-3+
inchikey: PNPJTOHNBYQMEA-ONEGZZNKSA-N
monoisotopicmass: 2.7016198E2
label: Octadeca-15E-en-9,11,13-triynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_186684
abbrev: FA 18:7

(E)-octadec-13-en-11-ynoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,9-17H2,1H3,(H,19,20)/b6-5+
inchikey: WHEVOQUCZMDNBG-AATRIKPKSA-N
monoisotopicmass: 2.78224581E2
label: Octadeca-13E-en-11-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:3

(Z)-heptadec-14-en-11-ynoic acid
type: Class
formula: C17H28O2
inchi: InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h3-4H,2,5,8-16H2,1H3,(H,18,19)/b4-3-
inchikey: AQRFGVGEUUXXPS-ARJAWSKDSA-N
monoisotopicmass: 2.6420893E2
label: Heptadec-14Z-en-11-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:3

(6Z,10E)-hexadec-6,10-dien-8-ynoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,10-11H,2-5,12-15H2,1H3,(H,17,18)/b7-6+,11-10-
inchikey: AJOUVFQEKMCFLL-WFKFFMJQSA-N
monoisotopicmass: 2.4817763E2
label: Hexadec-6Z,10E-dien-8-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_189008
abbrev: FA 16:4

(Z)-hexadec-13-en-11-ynoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4H,2,7-15H2,1H3,(H,17,18)/b4-3-
inchikey: ZXOJISPJUDADNS-ARJAWSKDSA-N
monoisotopicmass: 2.5019328E2
label: Hexadec-13Z-en-11-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:3

Methyl-(5Z,7E,9E,14Z,17Z)-eicosa-5,7,9,14,17-pentaenoate
type: Class
formula: C21H32O2
inchi: InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,12-17H,3,6,9-11,18-20H2,1-2H3/b5-4-,8-7-,13-12+,15-14+,17-16-
inchikey: KYCHHUXOABPSFL-ZFFIWZSQSA-N
monoisotopicmass: 3.16240231E2
label: Methyl-(5Z,7E,9E,14Z,17Z)-eicosapentaenoate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 21:5

Methyl-(5E,7E,9E,14Z,17Z) eicosapentaenoate
type: Class
formula: C21H32O2
inchi: InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,12-17H,3,6,9-11,18-20H2,1-2H3/b5-4-,8-7-,13-12+,15-14+,17-16+
inchikey: KYCHHUXOABPSFL-RCHARPKBSA-N
monoisotopicmass: 3.16240231E2
label: Methyl-(5E,7E,9E,14Z,17Z)-eicosa-5,7,9,14,17-pentaenoate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 21:5

Methyl-(5Z,8Z,11Z,14Z,17Z)-eicosa-(5,8,11,14,17)-pentaenoate
type: Class
formula: C21H32O2
inchi: InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
inchikey: QWDCYFDDFPWISL-JEBPEJKESA-N
monoisotopicmass: 3.16240231E2
label: Methyl-(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_143585
abbrev: FA 21:5

(7Z,11E)-heptadec-7,11-dien-9-ynoic acid
type: Class
formula: C17H26O2
inchi: InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h6-7,10-11H,2-5,12-16H2,1H3,(H,18,19)/b7-6+,11-10-
inchikey: KKLKCTIZIVVPOJ-WFKFFMJQSA-N
monoisotopicmass: 2.6219328E2
label: Heptadec-7Z,11E-dien-9-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:4

methyl 2Z,8Z-nonadien-4,6-diynoate
type: Class
formula: C10H8O2
inchi: InChI=1S/C10H8O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3,8-9H,1H2,2H3/b9-8-
inchikey: NKASLWMHBKLOBW-HJWRWDBZSA-N
monoisotopicmass: 1.6005243E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 10:6

9Z,12Z,15-hexadecatrienoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,4-5,7-8H,1,3,6,9-15H2,(H,17,18)/b5-4-,8-7-
inchikey: OAXMYGCFSSOPQP-UTOQUPLUSA-N
monoisotopicmass: 2.5019328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:3

(4Z,7Z,9E,11E,13Z,16Z,19Z)-docosa-4,7,9,11,13,16,19-heptaenoic acid
type: Class
formula: C22H30O2
inchikey: ONCVIMINFCGUNI-SXKGLJMYSA-N
monoisotopicmass: 3.26224581E2
label: 4Z,7Z,9E,11E,13Z,16Z,19Z-docosaheptaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:7

(4Z,7Z,9E,11E,13Z)-hexadeca-(4,7,9,11,13)-pentaenoic acid
type: Class
formula: C16H22O2
inchi: InChI=1S/C16H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-10,12-13H,2,11,14-15H2,1H3,(H,17,18)/b4-3-,6-5+,8-7+,10-9-,13-12-
inchikey: SCKGVDPVUFEODH-APKWISMUSA-N
monoisotopicmass: 2.4616198E2
label: 4Z,7Z,9E,11E,13Z-hexadecapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:5

2Z-tridecenoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/b12-11-
inchikey: GQVYBECSNBLQJV-QXMHVHEDSA-N
monoisotopicmass: 2.1217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 13:1

2Z-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)/b13-12-
inchikey: IBYFOBGPNPINBU-SEYXRHQNSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_87147
abbrev: FA 14:1

2Z-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h13-14H,2-12H2,1H3,(H,16,17)/b14-13-
inchikey: HOGWBMWOBRRKCD-YPKPFQOOSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:1

11-methyl-2E-dodecenoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h9,11-12H,3-8,10H2,1-2H3,(H,14,15)/b11-9+
inchikey: SNTXNGAQYNSTHI-PKNBQFBNSA-N
monoisotopicmass: 2.1217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_87153
abbrev: FA 13:1

12-keto-8E,10E-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12+
inchikey: KFJPSNFGLYGWKP-KDFHGORWSA-N
monoisotopicmass: 2.94219496E2
label: 12-oxo-8E,10E-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:3;O

5-keto-6E,8E-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h10-12,14H,2-9,13,15-16H2,1H3,(H,20,21)/b11-10+,14-12+
inchikey: YVWMHFYOIJMUMN-CYZWUHAYSA-N
monoisotopicmass: 2.94219496E2
label: 5-oxo-6E,8E-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

19-methyl-7Z-eicosenoic acid
type: Class
formula: C21H40O2
inchi: InChI=1S/C21H40O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h7,9,20H,3-6,8,10-19H2,1-2H3,(H,22,23)/b9-7-
inchikey: WWLXQPINWFUSJJ-CLFYSBASSA-N
monoisotopicmass: 3.24302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:1

18-methyl-7Z-eicosenoic acid
type: Class
formula: C21H40O2
inchi: InChI=1S/C21H40O2/c1-3-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21(22)23/h7,9,20H,3-6,8,10-19H2,1-2H3,(H,22,23)/b9-7-
inchikey: SRONWXCXFSJXJN-CLFYSBASSA-N
monoisotopicmass: 3.24302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:1

4Z,11Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,14-15H,2-6,9-13,16-17H2,1H3,(H,19,20)/b8-7-,15-14-
inchikey: CJRKVVFTDMYLGK-XWUSKMMESA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:2

4Z,7Z-eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h13-14,16-17H,2-12,15,18-19H2,1H3,(H,21,22)/b14-13-,17-16-
inchikey: QDGZNZUMJYOGMO-AUGURXLVSA-N
monoisotopicmass: 3.08271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:2

7Z,12Z-eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h8-9,13-14H,2-7,10-12,15-19H2,1H3,(H,21,22)/b9-8-,14-13-
inchikey: DFOSYHMMYNIUTL-ZQQYBVFVSA-N
monoisotopicmass: 3.08271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:2

4Z,7Z-heneicosadienoic acid
type: Class
formula: C21H38O2
inchikey: HXJAKZFPMQDMKS-NFYLBXPESA-N
monoisotopicmass: 3.22287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:2

7Z,12Z-docosadienoic acid
type: Class
formula: C22H40O2
inchikey: MZTOQERNLZWLGR-NVNPYIFYSA-N
monoisotopicmass: 3.36302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:2

5Z,8Z,11Z,14Z-docosatetraenoic acid
type: Class
formula: C22H36O2
inchikey: UCPHFYXDPMIVSD-GKFVBPDJSA-N
monoisotopicmass: 3.32271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:4

Methyl nonadeca-15,17-dienoate
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-6H,7-19H2,1-2H3/b4-3-,6-5-
inchikey: BDWYJHVGEIPXSA-OUPQRBNQSA-N
monoisotopicmass: 3.08271531E2
label: Methyl nonadeca-15Z,17Z-dienoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 20:2

5Z,8Z,11Z,14Z,17Z,20Z-docosahexaenoic acid
type: Class
formula: C22H32O2
inchikey: GZJLLYHBALOKEX-HJNPUEAESA-N
monoisotopicmass: 3.28240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:6

6S-hydroxy-2E,4Z-docosadienoic acid
type: Class
formula: C22H40O3
inchi: InChI=1S/C22H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)19-16-17-20-22(24)25/h16-17,19-21,23H,2-15,18H2,1H3,(H,24,25)/b19-16-,20-17+/t21-/m0/s1
inchikey: KKPWDPXWIUPCGB-XUQULAACSA-N
monoisotopicmass: 3.52297746E2
label: Pantheric Acid A
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:2;O

6S-hydroxy-2E,4Z,19Z-tetracosatrienoic acid
type: Class
formula: C24H42O3
inchi: InChI=1S/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24(26)27/h5-6,18-19,21-23,25H,2-4,7-17,20H2,1H3,(H,26,27)/b6-5-,21-18-,22-19+/t23-/m0/s1
inchikey: FVNQDZDHNYESSE-CASDLTSKSA-N
monoisotopicmass: 3.78313396E2
label: Pantheric Acid B
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:3;O

(Z,Z)-10,14-eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,10-11H,2-5,8-9,12-19H2,1H3,(H,21,22)/b7-6-,11-10-
inchikey: LZHSQQHUCUUTJU-QOXWLJPHSA-N
monoisotopicmass: 3.08271531E2
label: 10Z,14Z-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:2

(11R,9Z,10Z)-octadeca-9,10-dien-12,14-diynoic acid
type: Class
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8,10H,2-3,11-17H2,1H3,(H,19,20)/t9-/m0/s1
inchikey: KSAZGINEUAUMNR-VIFPVBQESA-N
monoisotopicmass: 2.7217763E2
label: Phomallenic acid C
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:6

(10R,8Z,9Z)-heptadeca-8,9-dien-11,13-diynoic acid
type: Class
formula: C17H22O2
inchi: InChI=1S/C17H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8,10H,2-3,11-16H2,1H3,(H,18,19)/t9-/m0/s1
inchikey: VMBBTKBMFHKNCM-VIFPVBQESA-N
monoisotopicmass: 2.5816198E2
label: Phomallenic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:6

13-hydroxy(10R,6Z,7Z)-pentadeca-6,7-dien-9,11-diynoic acid
type: Class
formula: C15H18O3
inchi: InChI=1S/C15H18O3/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15(17)18/h4-5,14,16H,2,7,9,11,13H2,1H3,(H,17,18)/t3-,14?/m0/s1
inchikey: YZCDHRPWTDTXRF-QVZGUCRKSA-N
monoisotopicmass: 2.46125595E2
label: Phomallenic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:6;O

6Z-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h8-9H,2-7,10-13H2,1H3,(H,15,16)/b9-8-
inchikey: WOOJTOCLPCVUBF-HJWRWDBZSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:1

6Z-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h9-10H,2-8,11-14H2,1H3,(H,16,17)/b10-9-
inchikey: VQDOIVGYJXZOQY-KTKRTIGZSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:1

6Z-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h11-12H,2-10,13-16H2,1H3,(H,18,19)/b12-11-
inchikey: VQEVXOWSSYAKJT-QXMHVHEDSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:1

5-oxo-6E,8Z-tetradecadienoic acid
type: Class
formula: C14H22O3
inchi: InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-10-13(15)11-9-12-14(16)17/h6-8,10H,2-5,9,11-12H2,1H3,(H,16,17)/b7-6-,10-8+
inchikey: CUBKHJDNGLGYAG-VAAURPRASA-N
monoisotopicmass: 2.38156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:3;O

5-oxo-6E,8E-tetradecadienoic acid
type: Class
formula: C14H22O3
inchi: InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-10-13(15)11-9-12-14(16)17/h6-8,10H,2-5,9,11-12H2,1H3,(H,16,17)/b7-6+,10-8+
inchikey: CUBKHJDNGLGYAG-LQPGMRSMSA-N
monoisotopicmass: 2.38156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:3;O

8E-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h8-9H,2-7,10-15H2,1H3,(H,17,18)/b9-8+
inchikey: NJTVGRDDFBKQLU-CMDGGOBGSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:1

9Z-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: QZAGJKGVUDKAER-NXVVXOECSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

17E-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: OGQIJHRKHPDBAV-BQYQJAHWSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

18E-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: IROWKVGXMWFCDM-VOTSOKGWSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

19E-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: XGAFLICMDZUMCB-AATRIKPKSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

9Z-tridecenoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h4-5H,2-3,6-12H2,1H3,(H,14,15)/b5-4-
inchikey: KIWIPIAOWPKUNM-PLNGDYQASA-N
monoisotopicmass: 2.1217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 13:1

7E-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h7-8H,2-6,9-13H2,1H3,(H,15,16)/b8-7+
inchikey: ZVXDGKJSUPWREP-BQYQJAHWSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:1

5Z-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h10-11H,2-9,12-14H2,1H3,(H,16,17)/b11-10-
inchikey: WUKJHLGRHGXBHM-KHPPLWFESA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:1

14-methyl-9E-pentadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5,7,15H,3-4,6,8-14H2,1-2H3,(H,17,18)/b7-5+
inchikey: YRYADTKRRRPFOA-FNORWQNLSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:1

34S,45S-dihydroxy-heptatetraconta-4Z,20Z,26Z,30E,43E-pentaen-2,32,35,46-tetraynoic acid
type: Class
formula: C47H68O4
inchi: InChI=1S/C47H68O4/c1-2-45(48)41-37-33-29-27-28-31-35-39-43-46(49)42-38-34-30-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-32-36-40-44-47(50)51/h1,7,9,19,21,30,32,34,36-37,41,45-46,48-49H,3-6,8,10-18,20,22-29,31,33,35H2,(H,50,51)/b9-7-,21-19-,34-30+,36-32-,41-37+/t45-,46-/m1/s1
inchikey: BZLCFINUEDERAD-JCPHLTBWSA-N
monoisotopicmass: 6.96511761E2
label: Petroformynic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:13;O2

34S,45S-dihydroxy-heptatetraconta-20Z,26Z,30E,43E-tetraen-2,32,35,46-tetraynoic acid
type: Class
formula: C47H70O4
inchi: InChI=1S/C47H70O4/c1-2-45(48)41-37-33-29-27-28-31-35-39-43-46(49)42-38-34-30-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-32-36-40-44-47(50)51/h1,7,9,19,21,30,34,37,41,45-46,48-49H,3-6,8,10-18,20,22-29,31-33,35-36H2,(H,50,51)/b9-7-,21-19-,34-30+,41-37+/t45-,46-/m1/s1
inchikey: BQLNMCQNOASKKE-SZBZILBQSA-N
monoisotopicmass: 6.98527411E2
label: Petroformynic acid C
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:12;O2

21-oxo-4,6,22,31,34,37,42,45-octahydroxy-heptatetraconta-26Z,39E,43E-trien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H70O11
inchi: InChI=1S/C47H70O11/c1-2-38(48)29-30-40(50)24-21-22-25-41(51)32-34-42(52)33-31-39(49)23-17-13-11-12-16-20-28-46(56)45(55)27-19-15-10-8-6-4-3-5-7-9-14-18-26-43(53)37-44(54)35-36-47(57)58/h1,11-12,21-22,29-30,38-44,46,48-54,56H,3-10,13-20,23-28,37H2,(H,57,58)/b12-11-,22-21+,30-29+
inchikey: MCNDDHLCPJUEBD-VRAXCDOKSA-N
monoisotopicmass: 8.10491816E2
label: Nepheliosyne A
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:12;O9

21-oxo-5,6,22,31,34,37,42,45-octahydroxy-heptatetraconta-26Z,39E,43E-trien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H70O11
inchi: InChI=1S/C47H70O11/c1-2-38(48)30-31-40(50)25-22-23-26-41(51)33-35-42(52)34-32-39(49)24-18-14-12-13-17-20-28-44(54)43(53)27-19-15-10-8-6-4-3-5-7-9-11-16-21-29-45(55)46(56)36-37-47(57)58/h1,12-13,22-23,30-31,38-42,44-46,48-52,54-56H,3-11,14-21,24-29H2,(H,57,58)/b13-12-,23-22+,31-30+
inchikey: PGKWJDFSOOABNS-ZQFLUNDUSA-N
monoisotopicmass: 8.10491816E2
label: Nepheliosyne B
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:12;O9

9E-octadecen-5,7-diynoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,15-17H2,1H3,(H,19,20)/b10-9+
inchikey: HNHFXIBUWYZZML-MDZDMXLPSA-N
monoisotopicmass: 2.7419328E2
label: Heterofibrin A1
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:5

17-methyl-9E-octadecen-5,7-diynoic acid
type: Class
formula: C19H28O2
inchi: InChI=1S/C19H28O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h3-4,18H,6,8,10,12-17H2,1-2H3,(H,20,21)/b4-3+
inchikey: HZVYPEZYCVDZGG-ONEGZZNKSA-N
monoisotopicmass: 2.8820893E2
label: Heterofibrin B1
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:5

6S-Hydroxyoctadeca-7E,9E-dien-11,13,15,17-tetraynoic acid
type: Class
formula: C18H16O3
inchi: InChI=1S/C18H16O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,9-11,14,17,19H,12-13,15-16H2,(H,20,21)/b10-9+,14-11+/t17-/m1/s1
inchikey: GOOGOKNSXZDSND-XUDQBFGESA-N
monoisotopicmass: 2.80109945E2
label: Caryoynencin A
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:10;O

6S-Hydroxyoctadeca-7Z,9E-dien-11,13,15,17-tetraynoic acid
type: Class
formula: C18H16O3
inchi: InChI=1S/C18H16O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,9-11,14,17,19H,12-13,15-16H2,(H,20,21)/b10-9+,14-11-/t17-/m1/s1
inchikey: GOOGOKNSXZDSND-RCGIBFCTSA-N
monoisotopicmass: 2.80109945E2
label: Caryoynencin B
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:10;O

6S-Hydroxyoctadeca-7E,9Z-dien-11,13,15,17-tetraynoic acid
type: Class
formula: C18H16O3
inchi: InChI=1S/C18H16O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,9-11,14,17,19H,12-13,15-16H2,(H,20,21)/b10-9-,14-11+/t17-/m1/s1
inchikey: GOOGOKNSXZDSND-AIGQMXEJSA-N
monoisotopicmass: 2.80109945E2
label: Caryoynencin C
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:10;O

14-methyl-5Z,9Z-pentadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5-8,15H,3-4,9-14H2,1-2H3,(H,17,18)/b7-5-,8-6-
inchikey: PKYKYVUOJCITJQ-SFECMWDFSA-N
monoisotopicmass: 2.5220893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:2

7E,13E,17Z-Eicosatrienoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,7-8,13-14H,2,5-6,9-12,15-19H2,1H3,(H,21,22)/b4-3-,8-7+,14-13+
inchikey: QJSGPOJMCJWDDI-RHNRANPYSA-N
monoisotopicmass: 3.06255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:3

9E,15E,19Z-docosatrienoic acid
type: Class
formula: C22H38O2
inchikey: MUDDABLMNYAAES-RHNRANPYSA-N
monoisotopicmass: 3.34287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:3

4Z,9E,15E,19Z-docosatetraenoic acid
type: Class
formula: C22H36O2
inchikey: NTXLLHGDPUQRMW-CXIJYGAVSA-N
monoisotopicmass: 3.32271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:4

19-oxo-4,5,6,27,31,34,38,42-octahydroxy-heptatetraconta-25E,43E-dien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O11
inchi: InChI=1S/C47H72O11/c1-2-3-15-23-39(49)27-20-29-41(51)30-22-32-43(53)35-34-42(52)31-21-28-40(50)26-18-13-10-12-17-25-38(48)24-16-11-8-6-4-5-7-9-14-19-33-44(54)47(58)45(55)36-37-46(56)57/h1,15,18,23,26,39-45,47,49-55,58H,3-14,16-17,19-21,24-25,27-31,33H2,(H,56,57)/b23-15+,26-18+
inchikey: BAJYNKKHFVGDSB-AQFYIDAFSA-N
monoisotopicmass: 8.12507466E2
label: Osirisyne G
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:11;O9

19-oxo-4,5,27,31,34,38,42-heptahydroxy-heptatetraconta-25E,43E-dien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O10
inchi: InChI=1S/C47H72O10/c1-2-3-16-24-40(49)28-21-30-42(51)31-23-33-44(53)36-35-43(52)32-22-29-41(50)27-19-14-11-13-18-26-39(48)25-17-12-9-7-5-4-6-8-10-15-20-34-45(54)46(55)37-38-47(56)57/h1,16,19,24,27,40-46,49-55H,3-15,17-18,20-22,25-26,28-32,34H2,(H,56,57)/b24-16+,27-19+
inchikey: JQURUYHYYJOEGV-AGLBRYAKSA-N
monoisotopicmass: 7.96512551E2
label: Osirisyne H
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:11;O8

4,5,21,27,31,34,38,42,45-nonahydroxy-heptatetraconta-19E,25E,43E-trien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O11
inchi: InChI=1S/C47H72O11/c1-2-38(48)32-33-42(52)28-20-26-41(51)27-21-30-44(54)35-34-43(53)29-19-25-40(50)24-17-14-16-23-39(49)22-15-12-10-8-6-4-3-5-7-9-11-13-18-31-45(55)46(56)36-37-47(57)58/h1,15,17,22,24,32-33,38-46,48-56H,3-14,16,18-20,23,25-29,31H2,(H,57,58)/b22-15+,24-17+,33-32+
inchikey: WLZRUGGEMKFSBF-GGUXJNBWSA-N
monoisotopicmass: 8.12507466E2
label: Osirisyne I
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:11;O9

4,5,21,27,34,38,42,45-octahydroxy-heptatetraconta-19E,25E,43E-trien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O10
inchi: InChI=1S/C47H72O10/c1-2-39(48)35-36-44(53)33-24-32-43(52)31-23-30-42(51)27-19-15-14-18-26-41(50)29-21-16-20-28-40(49)25-17-12-10-8-6-4-3-5-7-9-11-13-22-34-45(54)46(55)37-38-47(56)57/h1,17,21,25,29,35-36,39-46,48-55H,3-16,18,20,22,24,26,28,31-34H2,(H,56,57)/b25-17+,29-21+,36-35+
inchikey: NIZILVGZRWGVQW-FRAQYRCGSA-N
monoisotopicmass: 7.96512551E2
label: Osirisyne E
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:11;O8

21-oxo-4,5,6,27,31,34,38,42,45-nonahydroxy-heptatetraconta-19E,25E,43E-trien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H70O12
inchi: InChI=1S/C47H70O12/c1-2-37(48)31-32-41(52)27-19-25-40(51)26-20-29-43(54)34-33-42(53)28-18-24-39(50)23-16-13-15-22-38(49)21-14-11-9-7-5-3-4-6-8-10-12-17-30-44(55)47(59)45(56)35-36-46(57)58/h1,14,16,21,23,31-32,37,39-45,47-48,50-56,59H,3-13,15,17-19,22,24-28,30H2,(H,57,58)/b21-14+,23-16+,32-31+
inchikey: QGUOXVDMUDHUSI-LQYIHJHESA-N
monoisotopicmass: 8.26486731E2
label: Osirisyne F
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:12;O10

21-oxo-4,5,27,31,34,38,42,45-octahydroxy-heptatetraconta-19E,25E,43E-trien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O11
inchi: InChI=1S/C47H72O11/c1-2-38(48)32-33-42(52)28-20-26-41(51)27-21-30-44(54)35-34-43(53)29-19-25-40(50)24-17-14-16-23-39(49)22-15-12-10-8-6-4-3-5-7-9-11-13-18-31-45(55)46(56)36-37-47(57)58/h1,17,24,32-33,38,40-46,48,50-56H,3-16,18-20,22-23,25-29,31H2,(H,57,58)/b24-17+,33-32+
inchikey: VOVIZIGRYJWSMB-BRMFWMODSA-N
monoisotopicmass: 8.12507466E2
label: Osirisyne C
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:11;O9

21-oxo-4,5,27,34,38,42,45-heptahydroxy-heptatetraconta-19E,25E,43E-trien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O10
inchi: InChI=1S/C47H72O10/c1-2-39(48)35-36-44(53)33-24-32-43(52)31-23-30-42(51)27-19-15-14-18-26-41(50)29-21-16-20-28-40(49)25-17-12-10-8-6-4-3-5-7-9-11-13-22-34-45(54)46(55)37-38-47(56)57/h1,21,29,35-36,39,41-46,48,50-55H,3-18,20,22,24-26,28,31-34H2,(H,56,57)/b29-21+,36-35+
inchikey: USYFRMJGFGCOEV-OTNHXOQOSA-N
monoisotopicmass: 7.96512551E2
label: Osirisyne D
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:11;O8

19-oxo-4,5,27,31,34,38,42,45-octahydroxy-heptatetraconta-25E,43E-dien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O11
inchi: InChI=1S/C47H72O11/c1-2-38(48)32-33-42(52)28-20-26-41(51)27-21-30-44(54)35-34-43(53)29-19-25-40(50)24-17-13-10-12-16-23-39(49)22-15-11-8-6-4-3-5-7-9-14-18-31-45(55)46(56)36-37-47(57)58/h1,17,24,32-33,38,40-46,48,50-56H,3-16,18-20,22-23,25-29,31H2,(H,57,58)/b24-17+,33-32+
inchikey: WQBFBFNWOXQTCY-BRMFWMODSA-N
monoisotopicmass: 8.12507466E2
label: Osirisyne A
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:11;O9

19-oxo-4,5,27,34,38,42,45-heptahydroxy-heptatetraconta-25E,43E-dien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O10
inchi: InChI=1S/C47H72O10/c1-2-39(48)35-36-44(53)33-24-32-43(52)31-23-30-42(51)29-21-16-15-20-28-41(50)27-19-13-10-12-18-26-40(49)25-17-11-8-6-4-3-5-7-9-14-22-34-45(54)46(55)37-38-47(56)57/h1,19,27,35-36,39,41-46,48,50-55H,3-18,20,22,24-26,28,31-34H2,(H,56,57)/b27-19+,36-35+
inchikey: DHSSYQMKWZSZRR-UAPJGMTNSA-N
monoisotopicmass: 7.96512551E2
label: Osirisyne B
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:11;O8

27-oxo-4,5,6,19,31,34,38,42,45-nonahydroxy-heptatetraconta-20E,43E-dien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O12
inchi: InChI=1S/C47H72O12/c1-2-37(48)31-32-41(52)27-19-25-40(51)26-20-29-43(54)34-33-42(53)28-18-24-39(50)23-16-12-9-11-15-22-38(49)21-14-10-7-5-3-4-6-8-13-17-30-44(55)47(59)45(56)35-36-46(57)58/h1,15,22,31-32,37-38,40-45,47-49,51-56,59H,3-14,16-19,21,23-28,30H2,(H,57,58)/b22-15+,32-31+
inchikey: HCYVKXJJRVFHDS-WWKKMSDWSA-N
monoisotopicmass: 8.28502381E2
label: Fulvyne A
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_183073
abbrev: FA 47:11;O10

27-oxo-4,5,6,19,34,37,38,42,45-nonahydroxy-heptatetraconta-20E,43E-dien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O12
inchi: InChI=1S/C47H72O12/c1-2-37(48)31-32-41(52)28-22-30-42(53)43(54)34-33-40(51)27-20-15-14-19-26-39(50)25-18-12-9-11-17-24-38(49)23-16-10-7-5-3-4-6-8-13-21-29-44(55)47(59)45(56)35-36-46(57)58/h1,17,24,31-32,37-38,40-45,47-49,51-56,59H,3-16,18-19,21-23,25-26,28-30H2,(H,57,58)/b24-17+,32-31+
inchikey: UZAJTRNBLWGVHN-FAPUTINHSA-N
monoisotopicmass: 8.28502381E2
label: Fulvyne C
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_183075
abbrev: FA 47:11;O10

27-oxo-4,5,6,19,34,38,42,45-octahydroxy-heptatetraconta-20E,43E-dien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O11
inchi: InChI=1S/C47H72O11/c1-2-38(48)34-35-43(53)32-23-31-42(52)30-22-29-41(51)28-20-15-14-19-27-40(50)26-18-12-9-11-17-25-39(49)24-16-10-7-5-3-4-6-8-13-21-33-44(54)47(58)45(55)36-37-46(56)57/h1,17,25,34-35,38-39,41-45,47-49,51-55,58H,3-16,18-19,21,23-24,26-27,30-33H2,(H,56,57)/b25-17+,35-34+
inchikey: YPUIYSDVTYZCKL-ZRDMWHDZSA-N
monoisotopicmass: 8.12507466E2
label: Fulvyne E
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_183077
abbrev: FA 47:11;O9

27-oxo-4,5,19,31,34,38,42,45-octahydroxy-heptatetraconta-20E,43E-dien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O11
inchi: InChI=1S/C47H72O11/c1-2-38(48)32-33-42(52)28-20-26-41(51)27-21-30-44(54)35-34-43(53)29-19-25-40(50)24-17-13-10-12-16-23-39(49)22-15-11-8-6-4-3-5-7-9-14-18-31-45(55)46(56)36-37-47(57)58/h1,16,23,32-33,38-39,41-46,48-49,51-56H,3-15,17-20,22,24-29,31H2,(H,57,58)/b23-16+,33-32+
inchikey: UFVWHUJBWYDNGU-SYCOVXQPSA-N
monoisotopicmass: 8.12507466E2
label: Fulvyne F
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_183078
abbrev: FA 47:11;O9

27-oxo-4,5,19,37,34,38,42,45-octahydroxy-heptatetraconta-20E,43E-dien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O11
inchi: InChI=1S/C47H72O11/c1-2-38(48)32-33-42(52)29-23-31-44(54)45(55)35-34-41(51)28-21-16-15-20-27-40(50)26-19-13-10-12-18-25-39(49)24-17-11-8-6-4-3-5-7-9-14-22-30-43(53)46(56)36-37-47(57)58/h1,18,25,32-33,38-39,41-46,48-49,51-56H,3-17,19-20,22-24,26-27,29-31H2,(H,57,58)/b25-18+,33-32+
inchikey: CFQMGPQXDUPGLM-MJQLEMNJSA-N
monoisotopicmass: 8.12507466E2
label: Fulvyne G
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_183079
abbrev: FA 47:11;O9

27-oxo-4,5,19,34,38,42,45-heptahydroxy-heptatetraconta-20E,43E-dien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O10
inchi: InChI=1S/C47H72O10/c1-2-39(48)35-36-44(53)33-24-32-43(52)31-23-30-42(51)29-21-16-15-20-28-41(50)27-19-13-10-12-18-26-40(49)25-17-11-8-6-4-3-5-7-9-14-22-34-45(54)46(55)37-38-47(56)57/h1,18,26,35-36,39-40,42-46,48-49,51-55H,3-17,19-20,22,24-25,27-28,31-34H2,(H,56,57)/b26-18+,36-35+
inchikey: QYVABVKFJSEKLK-XKXPXCDKSA-N
monoisotopicmass: 7.96512551E2
label: Fulvyne I
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 47:11;O8

20-oxo-4,5,6,28,34,37,38,42,45-nonahydroxy-heptatetraconta-26E,43E-dien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O12
inchi: InChI=1S/C47H72O12/c1-2-37(48)31-32-41(52)28-22-30-42(53)43(54)34-33-40(51)27-20-15-19-26-39(50)25-18-13-10-12-17-24-38(49)23-16-11-8-6-4-3-5-7-9-14-21-29-44(55)47(59)45(56)35-36-46(57)58/h1,18,25,31-32,37,39-45,47-48,50-56,59H,3-17,19,21-24,26,28-30H2,(H,57,58)/b25-18+,32-31+
inchikey: SWJKUWCDHPPENI-MOXTZTJUSA-N
monoisotopicmass: 8.28502381E2
label: Fulvyne B
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_183074
abbrev: FA 47:11;O10

20-oxo-4,5,6,28,34,38,42,45-octahydroxy-heptatetraconta-26E,43E-dien-2,32,35,46-tetraynoic acid
type: Class
formula: C47H72O11
inchi: InChI=1S/C47H72O11/c1-2-38(48)34-35-43(53)32-23-31-42(52)30-22-29-41(51)28-20-15-19-27-40(50)26-18-13-10-12-17-25-39(49)24-16-11-8-6-4-3-5-7-9-14-21-33-44(54)47(58)45(55)36-37-46(56)57/h1,18,26,34-35,38,40-45,47-48,50-55,58H,3-17,19,21,23-25,27,30-33H2,(H,56,57)/b26-18+,35-34+
inchikey: JAIQFSWCCDSXGQ-WWXYOYBQSA-N
monoisotopicmass: 8.12507466E2
label: Fulvyne D
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_183076
abbrev: FA 47:11;O9

4,5,29,35,39,43,46-heptahydroxy-heptatetraconta-27E,44E-dien-2,33,36,47-tetraynoic acid
type: Class
formula: C48H76O9
inchi: InChI=1S/C48H76O9/c1-2-41(49)37-38-45(53)35-28-34-44(52)33-27-32-43(51)31-25-22-24-30-42(50)29-23-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-26-36-46(54)47(55)39-40-48(56)57/h1,23,29,37-38,41-47,49-55H,3-22,24,26,28,30,33-36H2,(H,56,57)/b29-23+,38-37+
inchikey: RDBGLIHVXXHOCL-ITQSFRHVSA-N
monoisotopicmass: 7.96548936E2
label: Fulvyne H
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 48:10;O7

29-hydroxy-hentriaconta-4Z,17Z,27E-triene-2,20,30-triynoic acid
type: Class
formula: C31H44O3
inchi: InChI=1S/C31H44O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,6,8,23,25-26,28,30,32H,3-5,7,9-11,13,15-22,24H2,(H,33,34)/b8-6-,25-23-,28-26+
inchikey: ACNZSZPAYNDIRJ-SWFYLXDKSA-N
monoisotopicmass: 4.64329046E2
label: Corticatic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 31:9;O

29-hydroxy-hentriaconta-4E,17Z,27E-triene-2,20,30-triynoic acid
type: Class
formula: C31H44O3
inchi: InChI=1S/C31H44O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,6,8,23,25-26,28,30,32H,3-5,7,9-11,13,15-22,24H2,(H,33,34)/b8-6-,25-23+,28-26+
inchikey: ACNZSZPAYNDIRJ-OYABAQPGSA-N
monoisotopicmass: 4.64329046E2
label: Corticatic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 31:9;O

5E,7E,9E,14Z,17Z-eicosapentaenoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,11-16H,2,5,8-10,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,12-11+,14-13+,16-15+
inchikey: XGTCGDUVXWLURC-ZHVIFANVSA-N
monoisotopicmass: 3.02224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:5

8E,15E-heptadecadien-11,13-diynoic acid
type: Class
formula: C17H22O2
inchi: InChI=1S/C17H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-3,9-10H,8,11-16H2,1H3,(H,18,19)/b3-2+,10-9+
inchikey: IDXJZHSZTNTIRY-SCIPBJTFSA-N
monoisotopicmass: 2.5816198E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:6

7E,11E-tetradecadiene-5,9-diynoic acid
type: Class
formula: C14H16O2
inchi: InChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-4,7-8H,2,11-13H2,1H3,(H,15,16)/b4-3+,8-7+
inchikey: IHXAUHSVYVDJQO-DYWGDJMRSA-N
monoisotopicmass: 2.1611503E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:6

14-methyl-hexadeca-9,13-dienoic acid
type: Class
formula: C17H30O2
inchi: InChI=1S/C17H30O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,14H,3-5,7,9-13,15H2,1-2H3,(H,18,19)/b8-6-,16-14-
inchikey: GDRUZUOQVOOIRW-CIINBXFRSA-N
monoisotopicmass: 2.66224581E2
label: anteiso-heptadeca-9,13-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:2

3-Methyl-2Z,4E-decadienoic acid
type: Class
formula: C11H18O2
inchi: InChI=1S/C11H18O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)/b8-7+,10-9-
inchikey: HBIHEKAVUPUBGT-GOJKSUSPSA-N
monoisotopicmass: 1.8213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 11:2

12Z,16-heptadecadienoic acid
type: Class
formula: C17H30O2
inchi: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2,5-6H,1,3-4,7-16H2,(H,18,19)/b6-5-
inchikey: DJPJIMVUISFALP-WAYWQWQTSA-N
monoisotopicmass: 2.66224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:2

14Z,18-nonadecadienoic acid
type: Class
formula: C19H34O2
inchi: InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2,5-6H,1,3-4,7-18H2,(H,20,21)/b6-5-
inchikey: KDDPIFZGOMKHAC-WAYWQWQTSA-N
monoisotopicmass: 2.94255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:2

11-chloro-dodeca-2E,4E,6E,8E,10Z-pentaenoic acid
type: Class
formula: C12H13O2Cl
inchi: InChI=1S/C12H13ClO2/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-10H,1H3,(H,14,15)/b3-2+,6-4+,7-5+,10-8+,11-9-
inchikey: XUUUHVRPNJADCG-HKNGRZMZSA-N
monoisotopicmass: 2.24060408E2
label: Aurantoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

22Z,25Z,28Z,28Z,31Z,37Z-Tetracontahexaenoic acid
type: Class
formula: C40H68O2
inchikey: MTFKNULUZHJPFJ-KUBAVDMBSA-N
monoisotopicmass: 5.80521931E2
label: 40:6(22Z,25Z,28Z,28Z,31Z,37Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 40:6

(25Z,27Z,30Z,33Z,36Z,39Z)-Dotetracontahexaenoic acid
type: Class
formula: C42H72O2
inchikey: JHOILAIIFLUKPO-KUBAVDMBSA-N
monoisotopicmass: 6.08553231E2
label: 42:6(25Z,27Z,30Z,33Z,36Z,39Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 42:6

5Z,9Z,21Z-triacontatrienoic acid
type: Class
formula: C30H54O2
inchikey: KBICQESFAAFPAS-ZQTUQZJXSA-N
monoisotopicmass: 4.46412381E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 30:3

14:4(2E,4E,8E,10E)(4Me,6Me[S],12Me[S])
type: Class
formula: C17H26O2
inchi: InChI=1S/C17H26O2/c1-5-14(2)9-7-6-8-10-15(3)13-16(4)11-12-17(18)19/h6-9,11-15H,5,10H2,1-4H3,(H,18,19)/b8-6+,9-7+,12-11+,16-13+/t14-,15-/m0/s1
inchikey: WBNCIAHQXVTZCN-UZMQBWJGSA-N
monoisotopicmass: 2.6219328E2
label: 4,6S,12-trimethyl-2E,4E,8E,10E-tetradecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:4

15:6(2E,4E,6Z,8E,12E,14)(6Me,10Me[S],8Me,13Me)
type: Class
formula: C19H26O2
inchi: InChI=1S/C19H26O2/c1-6-15(2)11-12-17(4)14-18(5)13-16(3)9-7-8-10-19(20)21/h6-11,13-14,17H,1,12H2,2-5H3,(H,20,21)/b9-7+,10-8+,15-11+,16-13-,18-14+/t17-/m0/s1
inchikey: SKOXKKRJJGFOTR-IHWSKVCPSA-N
monoisotopicmass: 2.8619328E2
label: 6,8,10S,13-tetramethylpentadeca-2E,4E,6Z,8E,12E,14-hexaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:6

7Z-Octadecene-9-ynoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,2-8,13-17H2,1H3,(H,19,20)/b12-11-
inchikey: BWSIKEZDJMZITO-QXMHVHEDSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:3

9E-Octadecaen-11,13,15,17-tetraynoic acid
type: Class
formula: C18H18O2
inchi: InChI=1S/C18H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1,9-10H,11-17H2,(H,19,20)/b10-9+
inchikey: AMCJPHJAMUEWRC-MDZDMXLPSA-N
monoisotopicmass: 2.6613068E2
label: Protegenin A
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:9

3R-Hydroxy-9E-octadecaen-11,13,15,17-tetraynoic acid
type: Class
formula: C18H18O3
inchi: InChI=1S/C18H18O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h1,9-10,17,19H,11-16H2,(H,20,21)/b10-9+/t17-/m1/s1
inchikey: OWJLXANXXIWKOO-OAGJVSPASA-N
monoisotopicmass: 2.82125595E2
label: R-Protegenin B
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 18:9;O

3S-Hydroxy-9E-octadecaen-11,13,15,17-tetraynoic acid
type: Class
formula: C18H18O3
inchi: InChI=1S/C18H18O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h1,9-10,17,19H,11-16H2,(H,20,21)/b10-9+/t17-/m0/s1
inchikey: OWJLXANXXIWKOO-FVNWOWOISA-N
monoisotopicmass: 2.82125595E2
label: S-Protegenin B
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 18:9;O

9E,17-octadecadien-11,13,15-triynoic acid
type: Class
formula: C18H20O2
inchi: InChI=1S/C18H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,9-10H,1,11-17H2,(H,19,20)/b10-9+
inchikey: JZNHVJHVMNXPLD-MDZDMXLPSA-N
monoisotopicmass: 2.6814633E2
label: Protegenin C
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:8

9E-octadecen-11,13,15-triynoic acid
type: Class
formula: C18H22O2
inchi: InChI=1S/C18H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2,11-17H2,1H3,(H,19,20)/b10-9+
inchikey: PLZROFQCSOFQAY-MDZDMXLPSA-N
monoisotopicmass: 2.7016198E2
label: Protegenin D
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:7

29R-hydroxy-18-methylhentriaconta-4Z,27E-dien-2,30-diynoic acid
type: Class
formula: C32H52O3
inchi: InChI=1S/C32H52O3/c1-3-31(33)28-24-20-16-13-12-15-19-23-27-30(2)26-22-18-14-10-8-6-4-5-7-9-11-17-21-25-29-32(34)35/h1,17,21,24,28,30-31,33H,4-16,18-20,22-23,26-27H2,2H3,(H,34,35)/b21-17-,28-24+/t30?,31-/m0/s1
inchikey: MEHQYPWPRGDEDF-NLJCWGOESA-N
monoisotopicmass: 4.84391646E2
label: Aztequynol A
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
abbrev: FA 32:6;O

29R-hydroxy-18-methylhentriacont-4-en-2,30-diynoic acid
type: Class
formula: C32H54O3
inchi: InChI=1S/C32H54O3/c1-3-31(33)28-24-20-16-13-12-15-19-23-27-30(2)26-22-18-14-10-8-6-4-5-7-9-11-17-21-25-29-32(34)35/h1,17,21,30-31,33H,4-16,18-20,22-24,26-28H2,2H3,(H,34,35)/b21-17-/t30?,31-/m0/s1
inchikey: MYMNWIAYDLJMQH-OKBGSMQMSA-N
monoisotopicmass: 4.86407296E2
label: Aztequynol B
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
abbrev: FA 32:5;O

31R-hydroxytritriaconta-4Z,15Z,29Z-trien-2,32-diynoic acid
type: Class
formula: C33H52O3
inchi: InChI=1S/C33H52O3/c1-2-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)36/h1,3,5,25,27-28,30,32,34H,4,6-24,26H2,(H,35,36)/b5-3-,27-25-,30-28+/t32-/m0/s1
inchikey: UCUHATMHJUEPHQ-IRHUJQJUSA-N
monoisotopicmass: 4.96391646E2
label: Triangulynic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 33:7;O

(-)-Petrosynoic acid A
type: Class
formula: C31H48O3
inchi: InChI=1S/C31H48O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,4,6,23,25-26,28,30,32H,3,5,7-22,24H2,(H,33,34)/b6-4-,25-23-,28-26+/t30-/m0/s1
inchikey: GQTINRSAAWYFKQ-PJJOJYBGSA-N
monoisotopicmass: 4.68360346E2
label: 9R-Hydroxyhentriaconta-4Z,16Z,27E-trien-2,30-diynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 31:7;O

(-)-Petrosynoic acid B
type: Class
formula: C33H50O3
inchi: InChI=1S/C33H50O3/c1-2-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)36/h1,25,27-28,30,32,34H,3-5,7,9-24,26H2,(H,35,36)/b27-25-,30-28+/t32-/m0/s1
inchikey: QEYHXRJGVIQFQH-VGLFVHPZSA-N
monoisotopicmass: 4.94375996E2
label: 31R-hydroxytritriaconta-4Z,29E-dien-2,18,32-triynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 33:8;O

(-)-Petrosynoic acid C
type: Class
formula: C33H48O3
inchi: InChI=1S/C33H48O3/c1-2-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)36/h1,6,8,25,27-28,30,32,34H,3-5,7,9,11,13-24,26H2,(H,35,36)/b8-6-,27-25-,30-28+/t32-/m0/s1
inchikey: ZMWNVWAZCHBCGO-FXZSKSRQSA-N
monoisotopicmass: 4.92360346E2
label: 31R-hydroxytritriaconta-4Z,18Z,29E-trien-2,18,32-triynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 33:9;O

(-)-Petrosynoic acid D
type: Class
formula: C33H52O4
inchi: InChI=1S/C33H52O4/c1-2-31(34)27-23-19-15-11-7-4-3-5-8-12-16-20-24-28-32(35)29-25-21-17-13-9-6-10-14-18-22-26-30-33(36)37/h1,18,22-24,27-28,31-32,34-35H,3-17,19-21,25,29H2,(H,36,37)/b22-18-,27-23+,28-24+/t31-,32?/m0/s1
inchikey: WMKMNGSQNVMJIZ-SSDIRBQOSA-N
monoisotopicmass: 5.12386561E2
label: 15,31R-dihydroxytritriaconta-4Z,16E,29E-trien-2,32-diynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 33:7;O2

Octadec-2E-en-4-ynedioic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-13H2,1H3,(H,19,20)/b17-16+
inchikey: GTMFGWXGRXIATH-WUKNDPDISA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:3

Nematoic acid
type: Class
formula: C30H48O2
inchikey: JCYQUMHDPIVKKZ-XDPRBNJXSA-N
monoisotopicmass: 4.40365431E2
label: Triaconta-7Z,15Z,18Z,21Z,24Z,27Z-hexaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 30:6

Liagoric acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-12H,2-5,8,15-17H2,1H3,(H,19,20)/b7-6-,10-9-,12-11-
inchikey: ZHPHSHNAYWIUFY-NOVKEFSLSA-N
monoisotopicmass: 2.7419328E2
label: Octadeca-7Z,9Z,12Z-trien-5-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:5

7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h6-7,11,14,17,19H,2-5,8,10,13,15-16H2,1H3,(H,20,21)/b7-6-,14-11-
inchikey: RHFWYTUTNZBTBL-BKIWZHBDSA-N
monoisotopicmass: 2.92203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 18:4;O

Oleraceacid A
type: Class
formula: C15H24O2
inchi: InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h3-4,6-9H,2,5,10-14H2,1H3,(H,16,17)/b4-3+,7-6+,9-8+
inchikey: WRCWZQOTAJVLSU-SIRUGEDZSA-N
monoisotopicmass: 2.3617763E2
label: Pentadeca-7E,9E,12E-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:3

2,4-dimethyl-2E,4E-octadienoic acid
type: Class
formula: C10H16O2
inchi: InChI=1S/C10H16O2/c1-4-5-6-8(2)7-9(3)10(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)/b8-6+,9-7+
inchikey: GUYNSLHNVNTZOM-CDJQDVQCSA-N
monoisotopicmass: 1.6811503E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 10:2

2,4,7-trimethyl-2E,4E-octadienoic acid
type: Class
formula: C11H18O2
inchi: InChI=1S/C11H18O2/c1-8(2)5-6-9(3)7-10(4)11(12)13/h6-8H,5H2,1-4H3,(H,12,13)/b9-6+,10-7+
inchikey: GSYOKFCMOWJNFT-KZZDLZNXSA-N
monoisotopicmass: 1.8213068E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 11:2

7S-hydroxy-2,4-dimethyl-2E,4E-octadienoic acid
type: Class
formula: C10H16O3
inchi: InChI=1S/C10H16O3/c1-7(4-5-9(3)11)6-8(2)10(12)13/h4,6,9,11H,5H2,1-3H3,(H,12,13)/b7-4+,8-6+/t9-/m0/s1
inchikey: HQOOQTRMQYVQDW-XDRIWWAASA-N
monoisotopicmass: 1.84109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 10:1;O

7R-hydroxy-2,4-dimethyl-2E,4E-octadienoic acid
type: Class
formula: C10H16O3
inchi: InChI=1S/C10H16O3/c1-7(4-5-9(3)11)6-8(2)10(12)13/h4,6,9,11H,5H2,1-3H3,(H,12,13)/b7-4+,8-6+/t9-/m1/s1
inchikey: HQOOQTRMQYVQDW-LPGIYJELSA-N
monoisotopicmass: 1.84109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 10:2;O

7-hydroxy-2,4,7-trimethyl-2E,4E-octadienoic acid
type: Class
formula: C11H18O3
inchi: InChI=1S/C11H18O3/c1-8(5-6-11(3,4)14)7-9(2)10(12)13/h5,7,14H,6H2,1-4H3,(H,12,13)/b8-5+,9-7+
inchikey: AHNOKIIXVYRKGQ-OCIXRKKMSA-N
monoisotopicmass: 1.98125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 11:2;O

(R)-(-)-phialomustin B
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-4-5-6-10(2)9-11(3)7-8-12(13)14/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+,11-9+/t10-/m1/s1
inchikey: DZXNZBWYVLLUAX-SDNMUHDLSA-N
monoisotopicmass: 1.9614633E2
label: 4,6R-dimethyl-2E,4E-decadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 12:2

4,6S-dimethyl-2E,4E-decadienoic acid
type: Class
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-4-5-6-10(2)9-11(3)7-8-12(13)14/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+,11-9+/t10-/m0/s1
inchikey: DZXNZBWYVLLUAX-IVONAZQTSA-N
monoisotopicmass: 1.9614633E2
label: Phialomustin B
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 12:2

Dotriaconta-23Z,26Z,29Z-trienoic acid
type: Class
formula: C32H58O2
inchikey: PSHFCOSGYXNDFG-PDBXOOCHSA-N
monoisotopicmass: 4.74443681E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 32:3

Tetratriaconta-25Z,28Z,31Z-trienoic acid
type: Class
formula: C34H62O2
inchikey: YTLLFHAHGUFQRS-PDBXOOCHSA-N
monoisotopicmass: 5.02474981E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 34:3

Hexatriaconta-27Z,30Z,33Z-trienoic acid
type: Class
formula: C36H66O2
inchikey: UOCHRUUPVFIVEF-PDBXOOCHSA-N
monoisotopicmass: 5.30506281E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 36:3

Heneicosa-5Z,8Z,11Z,14Z-tetraenoic acid
type: Class
formula: C21H34O2
inchikey: XUTVYIBVBKBHHN-ZKWNWVNESA-N
monoisotopicmass: 3.18255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:4

22-methyl-5Z,9Z-tetracosadienoic acid
type: Class
formula: C25H46O2
inchi: InChI=1S/C25H46O2/c1-3-24(2)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25(26)27/h7,9,15,17,24H,3-6,8,10-14,16,18-23H2,1-2H3,(H,26,27)/b9-7-,17-15-
inchikey: BBFWKGYBBZILKC-UNNWTIKVSA-N
monoisotopicmass: 3.78349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 25:2

9Z-octadecen-6-ynoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11,14-17H2,1H3,(H,19,20)/b10-9-
inchikey: BUCDDVUHZLDYJO-KTKRTIGZSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:3

Octadec-17-en-9,11,13-triynoic acid
type: Class
formula: C18H22O2
inchi: InChI=1S/C18H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-4,11-17H2,(H,19,20)
inchikey: YESBZXSFUYCBEH-UHFFFAOYSA-N
monoisotopicmass: 2.7016198E2
label: Oropheic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:7

14E-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7H,2-5,8-19H2,1H3,(H,21,22)/b7-6+
inchikey: RMUJWENALAQPCS-VOTSOKGWSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:1

11E,13Z-Octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-8H,2-4,9-17H2,1H3,(H,19,20)/b6-5-,8-7+
inchikey: JGFMXQLVWUGIPI-IGTJQSIKSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:2

12Z-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5H,2-3,6-15H2,1H3,(H,17,18)/b5-4-
inchikey: MAJQLUHZSRVCAT-PLNGDYQASA-N
monoisotopicmass: 2.54224581E2
label: Criegeenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197321
abbrev: FA 16:1

12E-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5H,2-3,6-15H2,1H3,(H,17,18)/b5-4+
inchikey: MAJQLUHZSRVCAT-SNAWJCMRSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:1

10Z-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h4-5H,2-3,6-13H2,1H3,(H,15,16)/b5-4-
inchikey: DECRAQHRGOCKEG-PLNGDYQASA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:1

12E-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3H,4-13H2,1H3,(H,15,16)/b3-2+
inchikey: DOPFRSWQQFJVHQ-NSCUHMNNSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:1

10E-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h4-5H,2-3,6-13H2,1H3,(H,15,16)/b5-4+
inchikey: DECRAQHRGOCKEG-SNAWJCMRSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:1

8E-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7H,2-5,8-13H2,1H3,(H,15,16)/b7-6+
inchikey: TXLBQXBKSSATFT-VOTSOKGWSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:1

6E-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h8-9H,2-7,10-13H2,1H3,(H,15,16)/b9-8+
inchikey: WOOJTOCLPCVUBF-CMDGGOBGSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 14:1

5E-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h10-11H,2-9,12-14H2,1H3,(H,16,17)/b11-10+
inchikey: WUKJHLGRHGXBHM-ZHACJKMWSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:1

14Z-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3H,4-15H2,1H3,(H,17,18)/b3-2-
inchikey: QCXCQOTVASUIBX-IHWYPQMZSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197320
abbrev: FA 16:1

14E-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3H,4-15H2,1H3,(H,17,18)/b3-2+
inchikey: QCXCQOTVASUIBX-NSCUHMNNSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:1

5E-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h11-12H,2-10,13-15H2,1H3,(H,17,18)/b12-11+
inchikey: KVXIRQZWCOAYRD-VAWYXSNFSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_170092
abbrev: FA 16:1

4E-hexadecenoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h12-13H,2-11,14-15H2,1H3,(H,17,18)/b13-12+
inchikey: OXGMPGKZDZPDIF-OUKQBFOZSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:1

12E-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h5-6H,2-4,7-16H2,1H3,(H,18,19)/b6-5+
inchikey: VDBZSBZPSBQBTG-AATRIKPKSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:1

11E-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h6-7H,2-5,8-16H2,1H3,(H,18,19)/b7-6+
inchikey: KBXHUPLWJKJJER-VOTSOKGWSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:1

8Z-nonadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h11-12H,2-10,13-18H2,1H3,(H,20,21)/b12-11-
inchikey: NDWUATIHOSFJIE-QXMHVHEDSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:1

11E-nonadecenoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h8-9H,2-7,10-18H2,1H3,(H,20,21)/b9-8+
inchikey: JDPDAWHZOMLJCH-CMDGGOBGSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:1

12Z-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h8-9H,2-7,10-19H2,1H3,(H,21,22)/b9-8-
inchikey: NCSORJRFQDBVHT-HJWRWDBZSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:1

12E-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h8-9H,2-7,10-19H2,1H3,(H,21,22)/b9-8+
inchikey: NCSORJRFQDBVHT-CMDGGOBGSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:1

10E-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h10-11H,2-9,12-19H2,1H3,(H,21,22)/b11-10+
inchikey: SGKRVEFZHKULNA-ZHACJKMWSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:1

16E-eicosenoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h4-5H,2-3,6-19H2,1H3,(H,21,22)/b5-4+
inchikey: NSGWRVBQRUTMPS-SNAWJCMRSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 20:1

13Z-heneicosenoic acid
type: Class
formula: C21H40O2
inchikey: BGFFHXSFFMDHSZ-HJWRWDBZSA-N
monoisotopicmass: 3.24302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:1

9Z-heneicosenoic acid
type: Class
formula: C21H40O2
inchikey: RHFTWTKMOXRXEI-SEYXRHQNSA-N
monoisotopicmass: 3.24302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:1

16Z-docosenoic acid
type: Class
formula: C22H42O2
inchikey: BNENIIHPQHIVJM-SREVYHEPSA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:1

14Z-docosenoic acid
type: Class
formula: C22H42O2
inchikey: MTHLEQRYTJWJKJ-HJWRWDBZSA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:1

10Z,13Z,16Z,19Z-docosatetraenoic acid
type: Class
formula: C22H36O2
inchikey: IGFLWIHPPADNDL-LTKCOYKYSA-N
monoisotopicmass: 3.32271531E2
label: Lynenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197291
abbrev: FA 22:4

16E-docosenoic acid
type: Class
formula: C22H42O2
inchikey: BNENIIHPQHIVJM-VOTSOKGWSA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:1

14E-docosenoic acid
type: Class
formula: C22H42O2
inchikey: MTHLEQRYTJWJKJ-CMDGGOBGSA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:1

12E-docosenoic acid
type: Class
formula: C22H42O2
inchikey: XMABYTBFOIFDNU-ZHACJKMWSA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:1

17E-docosenoic acid
type: Class
formula: C22H42O2
inchikey: UBKDYQFHAWUXEQ-AATRIKPKSA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:1

15Z-tricosenoic acid
type: Class
formula: C23H44O2
inchikey: VAZJHGPTEDCROE-HJWRWDBZSA-N
monoisotopicmass: 3.52334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 23:1

16Z-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: ATFXWVZLOMROFH-HJWRWDBZSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

13Z-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: AVPORSRTKOSBPH-QXMHVHEDSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

18Z-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: IROWKVGXMWFCDM-SREVYHEPSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

14E-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: ZDRSLZQWMWOURL-ZHACJKMWSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

20E-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: SZPFBJQAKQWHBW-SNAWJCMRSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

16E-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: ATFXWVZLOMROFH-CMDGGOBGSA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

9Z,12Z-nonadecadienoic acid
type: Class
formula: C19H34O2
inchi: InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h7-8,10-11H,2-6,9,12-18H2,1H3,(H,20,21)/b8-7-,11-10-
inchikey: BFXHARLBAGKNRH-NQLNTKRDSA-N
monoisotopicmass: 2.94255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:2

8Z,11Z-nonadecadienoic acid
type: Class
formula: C19H34O2
inchi: InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h8-9,11-12H,2-7,10,13-18H2,1H3,(H,20,21)/b9-8-,12-11-
inchikey: QOWQYXBSNNDTSA-MURFETPASA-N
monoisotopicmass: 2.94255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 19:2

10Z,13Z,16Z-docosatrienoic acid
type: Class
formula: C22H38O2
inchikey: RILVNGKQIULBOQ-QNEBEIHSSA-N
monoisotopicmass: 3.34287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_83747
abbrev: FA 22:3

10Z-docosenoic acid
type: Class
formula: C22H42O2
inchikey: ICSHBSWHLCNKAS-SEYXRHQNSA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:1

12Z-docosenoic acid
type: Class
formula: C22H42O2
inchikey: XMABYTBFOIFDNU-KHPPLWFESA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 22:1

6Z-tridecenoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h7-8H,2-6,9-12H2,1H3,(H,14,15)/b8-7-
inchikey: JFSULGQQCJJKOU-FPLPWBNLSA-N
monoisotopicmass: 2.1217763E2
label: Chevreulic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195352
abbrev: FA 13:1

12Z-tetradecenoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3H,4-13H2,1H3,(H,15,16)/b3-2-
inchikey: DOPFRSWQQFJVHQ-IHWYPQMZSA-N
monoisotopicmass: 2.2619328E2
label: Seylereic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195353
abbrev: FA 14:1

12Z-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h3-4H,2,5-14H2,1H3,(H,16,17)/b4-3-
inchikey: LXVRCGCOYHKPCJ-ARJAWSKDSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195354
abbrev: FA 15:1

11Z-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h4-5H,2-3,6-14H2,1H3,(H,16,17)/b5-4-
inchikey: SFEDVCQDOVCREI-PLNGDYQASA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195355
abbrev: FA 15:1

8Z-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h7-8H,2-6,9-14H2,1H3,(H,16,17)/b8-7-
inchikey: GHXWIZSKXZULAN-FPLPWBNLSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195356
abbrev: FA 15:1

11E-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h4-5H,2-3,6-14H2,1H3,(H,16,17)/b5-4+
inchikey: SFEDVCQDOVCREI-SNAWJCMRSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:1

9E-pentadecenoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h6-7H,2-5,8-14H2,1H3,(H,16,17)/b7-6+
inchikey: DJCQJZKZUCHHAL-VOTSOKGWSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 15:1

13Z-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h4-5H,2-3,6-16H2,1H3,(H,18,19)/b5-4-
inchikey: UGYWQWBHSCTOQG-PLNGDYQASA-N
monoisotopicmass: 2.68240231E2
label: Thudichumic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195357
abbrev: FA 17:1

6E-heptadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h11-12H,2-10,13-16H2,1H3,(H,18,19)/b12-11+
inchikey: VQEVXOWSSYAKJT-VAWYXSNFSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:1

15Z-heneicosenoic acid
type: Class
formula: C21H40O2
inchikey: HPNNUCHXRASKFZ-SREVYHEPSA-N
monoisotopicmass: 3.24302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:1

6Z,9Z,12Z-docosatrienoic acid
type: Class
formula: C22H38O2
inchikey: CJGRSMMSYVTFRF-NWFXIAEYSA-N
monoisotopicmass: 3.34287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197311
abbrev: FA 22:3

14Z-heneicosenoic acid
type: Class
formula: C21H40O2
inchikey: WSDQBYXDAHBCSY-FPLPWBNLSA-N
monoisotopicmass: 3.24302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 21:1

8Z-docosenoic acid
type: Class
formula: C22H42O2
inchikey: GOAGFAAXWVTFFX-PFONDFGASA-N
monoisotopicmass: 3.38318481E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197318
abbrev: FA 22:1

14Z-tetracosenoic acid
type: Class
formula: C24H46O2
inchikey: ZDRSLZQWMWOURL-KHPPLWFESA-N
monoisotopicmass: 3.66349781E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:1

16Z-hexacosenoic acid
type: Class
formula: C26H50O2
inchikey: CPJOZNPJFQUMMN-KHPPLWFESA-N
monoisotopicmass: 3.94381081E2
label: Neonatic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197297
abbrev: FA 26:1

23Z-hexacosenoic acid
type: Class
formula: C26H50O2
inchikey: OGWFRNCEBYERLS-ARJAWSKDSA-N
monoisotopicmass: 3.94381081E2
label: Matereic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197298
abbrev: FA 26:1

21Z-heptacosenoic acid
type: Class
formula: C27H52O2
inchikey: TYRPZDWTUKSACD-SREVYHEPSA-N
monoisotopicmass: 4.08396731E2
label: Cudlmanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 27:1

18Z-octacosenoic acid
type: Class
formula: C28H54O2
inchikey: ZXINEWKMAYFXPD-KHPPLWFESA-N
monoisotopicmass: 4.22412381E2
label: Cvackaic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 28:1

23Z-nonacosenoic acid
type: Class
formula: C29H56O2
inchikey: JBCIZJAJKPABCV-SREVYHEPSA-N
monoisotopicmass: 4.36428031E2
label: Urbanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 29:1

21Z-nonacosenoic acid
type: Class
formula: C29H56O2
inchikey: HPDPPIJUTYXEQL-HJWRWDBZSA-N
monoisotopicmass: 4.36428031E2
label: Vojiroic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 29:1

4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontadecenoic acid
type: Class
formula: C34H48O2
inchikey: MGAQRGZKQYPGEV-QEXHNFCLSA-N
monoisotopicmass: 4.88365431E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 34:10

20Z-triacontenoic acid
type: Class
formula: C30H58O2
inchikey: JNZFTEYQGCNVQY-KHPPLWFESA-N
monoisotopicmass: 4.50443681E2
label: Patroneic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197299
abbrev: FA 30:1

25Z-triacontenoic acid
type: Class
formula: C30H58O2
inchikey: WDKCWZUNDVUPLA-WAYWQWQTSA-N
monoisotopicmass: 4.50443681E2
label: Lavoisieric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197300
abbrev: FA 30:1

5Z,8Z-nonadecadienoic acid
type: Class
formula: C19H34O2
inchi: InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h11-12,14-15H,2-10,13,16-18H2,1H3,(H,20,21)/b12-11-,15-14-
inchikey: YLTQJSFIWUSPLP-HDXUUTQWSA-N
monoisotopicmass: 2.94255881E2
label: Orbonaic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197302
abbrev: FA 19:2

10Z,13Z-eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8,10-11H,2-6,9,12-19H2,1H3,(H,21,22)/b8-7-,11-10-
inchikey: BYHLDPSVWJCXEG-NQLNTKRDSA-N
monoisotopicmass: 3.08271531E2
label: Verniceic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195344
abbrev: FA 20:2

7Z,10Z-eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h10-11,13-14H,2-9,12,15-19H2,1H3,(H,21,22)/b11-10-,14-13-
inchikey: SNEPTXOQBPZWTH-XVTLYKPTSA-N
monoisotopicmass: 3.08271531E2
label: Dermateic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197317
abbrev: FA 20:2

5Z,8Z-eicosadienoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h12-13,15-16H,2-11,14,17-19H2,1H3,(H,21,22)/b13-12-,16-15-
inchikey: HSHDOYQKHGCWCC-QGLGPCELSA-N
monoisotopicmass: 3.08271531E2
label: Meanjinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195347
abbrev: FA 20:2

12Z,15Z-eicosadienoic acid
type: Class
formula: C22H40O2
inchikey: OCSMLVACLPMJRT-NQLNTKRDSA-N
monoisotopicmass: 3.36302831E2
label: Feteic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197316
abbrev: FA 22:2

14Z,17Z-tetracosadienoic acid
type: Class
formula: C24H44O2
inchikey: NCBJCAFAZCMZGY-NQLNTKRDSA-N
monoisotopicmass: 3.64334131E2
label: Prenateic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197315
abbrev: FA 24:2

16Z,19Z-hexacosadienoic acid
type: Class
formula: C26H48O2
inchikey: NCZYVZSAZJNCOB-NQLNTKRDSA-N
monoisotopicmass: 3.92365431E2
label: Nativitatic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197313
abbrev: FA 26:2

20Z,23Z-triacontadienoic acid
type: Class
formula: C30H56O2
inchikey: AIKZOXWGTRKSAP-NQLNTKRDSA-N
monoisotopicmass: 4.48428031E2
label: Progigneic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197312
abbrev: FA 30:2

5Z,8Z,11Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,10-11,13-14H,2-6,9,12,15-17H2,1H3,(H,19,20)/b8-7-,11-10-,14-13-
inchikey: OQKSACYFUKAOOJ-JPFHKJGASA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:3

9Z,15Z,18Z,21Z-tetracosatetraenoic acid
type: Class
formula: C24H40O2
inchikey: TUNBFVHYWGYXQR-OUJQXAOTSA-N
monoisotopicmass: 3.60302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:4

12Z,15Z,18Z,21Z-tetracosatetraenoic acid
type: Class
formula: C24H40O2
inchikey: IWSADGAQVYYXMM-LTKCOYKYSA-N
monoisotopicmass: 3.60302831E2
label: Bergstromic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197303
abbrev: FA 24:4

9Z,12Z,15Z-tetracosatrienoic acid
type: Class
formula: C24H42O2
inchikey: NMHWYOYEAAARBH-YOILPLPUSA-N
monoisotopicmass: 3.62318481E2
label: Samuelssonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197304
abbrev: FA 24:3

9Z,12Z,15Z-docosatrienoic acid
type: Class
formula: C22H38O2
inchikey: AYOLQQGDWCKVHA-JPFHKJGASA-N
monoisotopicmass: 3.34287181E2
label: Vaneic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197305
abbrev: FA 22:3

11Z-heneicosenoic acid
type: Class
formula: C21H40O2
inchikey: HMQNHJJIYIZSOU-KHPPLWFESA-N
monoisotopicmass: 3.24302831E2
label: Capecchic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197309
abbrev: FA 21:1

5Z,8Z,11Z-nonadecatrienoic acid
type: Class
formula: C19H32O2
inchi: InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h8-9,11-12,14-15H,2-7,10,13,16-18H2,1H3,(H,20,21)/b9-8-,12-11-,15-14-
inchikey: HGXPNTRWDSQNGL-ORZIMQNZSA-N
monoisotopicmass: 2.92240231E2
label: Coreynic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197307
abbrev: FA 19:3

7Z,10Z,13Z-heneicosatrienoic acid
type: Class
formula: C21H36O2
inchikey: NSVDDLBXCXCPDL-ORZIMQNZSA-N
monoisotopicmass: 3.20271531E2
label: Yamanakanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_197306
abbrev: FA 21:3

6Z,13Z-hexadecadienoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,10-11H,2,5-9,12-15H2,1H3,(H,17,18)/b4-3-,11-10-
inchikey: JUJFDIPCFOEZKC-WXRHCNDASA-N
monoisotopicmass: 2.5220893E2
label: Menzeleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195345
abbrev: FA 16:2

8Z,15Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,10-11H,2,5-9,12-17H2,1H3,(H,19,20)/b4-3-,11-10-
inchikey: XCAMQFVZDNYKAX-WXRHCNDASA-N
monoisotopicmass: 2.80240231E2
label: Foigeic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195346
abbrev: FA 18:2

5Z,8Z,15Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,10-11,13-14H,2,5-9,12,15-17H2,1H3,(H,19,20)/b4-3-,11-10-,14-13-
inchikey: VXFUDBKSJKGONG-CYMJPOPFSA-N
monoisotopicmass: 2.78224581E2
label: Dinheic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
equivalent class: CHEBI_195343
abbrev: FA 18:3

9E-hexadecen-11,13,15-triynoic acid
type: Class
formula: C16H18O2
inchi: InChI=1S/C16H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1,7-8H,9-15H2,(H,17,18)/b8-7+
inchikey: TVNGNHOOTQXKEL-BQYQJAHWSA-N
monoisotopicmass: 2.4213068E2
label: Massilin C
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:7

14-Methyl-6Z-hexadecenoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h5,7,16H,3-4,6,8-15H2,1-2H3,(H,18,19)/b7-5-
inchikey: GGCNHOYDBKMNDI-ALCCZGGFSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 17:1

10Z,12Z,15Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-9H,2,5,10-17H2,1H3,(H,19,20)/b4-3-,7-6-,9-8-
inchikey: DASDQNZKDMCAQF-DYDVFMABSA-N
monoisotopicmass: 2.78224581E2
label: Euphormarginata acid A
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 18:3

4Z,7Z,10Z-hexadecatrienoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10,12-13H,2-5,8,11,14-15H2,1H3,(H,17,18)/b7-6-,10-9-,13-12-
inchikey: SBIXFICRPNNLIR-QNEBEIHSSA-N
monoisotopicmass: 2.5019328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 16:3

12Z,15Z-tetracosadienoic acid
type: Class
formula: C24H44O2
inchikey: WODWSHITRUNQBY-UTJQPWESSA-N
monoisotopicmass: 3.64334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
abbrev: FA 24:2

5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid
type: Class
formula: C19H30O6
inchi: InChI=1S/C19H30O6/c1-2-3-4-5-6-7-10-15-16(18-13-17(15)24-25-18)12-14(23-22)9-8-11-19(20)21/h6-7,12,14-15,17-18,22H,2-5,8-11,13H2,1H3,(H,20,21)/b7-6+,16-12-
inchikey: RMDWPORTSLRMPB-SDHWVOLWSA-N
monoisotopicmass: 3.54204241E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
equivalent class: CHEBI_185277
abbrev: FA 19:4;O4

15S-HpEDE
type: Class
formula: C20H36O4
inchi: InChI=1S/C20H36O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h9,11,14,17,19,23H,2-8,10,12-13,15-16,18H2,1H3,(H,21,22)/b11-9-,17-14+/t19-/m0/s1
inchikey: KEXNVBSLXJLOPR-XMSPSUPSSA-N
monoisotopicmass: 3.40261361E2
label: 15S-hydroperoxy-11Z,13E-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
equivalent class: CHEBI_144843
abbrev: FA 20:2;O2

methyl 9-butylperoxy-10,12-octadecadienoate
type: Class
formula: C23H42O4
inchi: InChI=1S/C23H42O4/c1-6-7-8-9-10-12-15-18-21(26-27-23(2,3)4)19-16-13-11-14-17-20-22(24)25-5/h10,12,15,18,21H,6-9,11,13-14,16-17,19-20H2,1-5H3/b12-10+,18-15+
inchikey: XVZNKFOXXKMPCH-IZAPIVEJSA-N
monoisotopicmass: 3.82308311E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_188080
abbrev: FA 23:2;O2

methyl 13-butylperoxy-9,11-octadecadienoate
type: Class
formula: C23H42O4
inchi: InChI=1S/C23H42O4/c1-6-7-15-18-21(26-27-23(2,3)4)19-16-13-11-9-8-10-12-14-17-20-22(24)25-5/h11,13,16,19,21H,6-10,12,14-15,17-18,20H2,1-5H3/b13-11+,19-16+
inchikey: GUWYTNFTPALBOJ-AEPWDTSSSA-N
monoisotopicmass: 3.82308311E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_169156
abbrev: FA 23:2;O2

methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate
type: Class
formula: C19H32O4
inchi: InChI=1S/C19H32O4/c1-3-4-5-6-9-12-15-18(23-21)16-13-10-7-8-11-14-17-19(20)22-2/h4-5,9,12-13,16,18,21H,3,6-8,10-11,14-15,17H2,1-2H3/b5-4-,12-9-,16-13+
inchikey: JZABNNCYXIODDU-UNABKFHLSA-N
monoisotopicmass: 3.24230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_187053
abbrev: FA 19:3;O2

methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate
type: Class
formula: C19H32O4
inchi: InChI=1S/C19H32O4/c1-3-15-18(23-21)16-13-11-9-7-5-4-6-8-10-12-14-17-19(20)22-2/h3,5,7,11,13,15,18,21H,4,6,8-10,12,14,16-17H2,1-2H3/b7-5-,13-11-,15-3+
inchikey: GSDDTQBCPWWRBN-GWENILSLSA-N
monoisotopicmass: 3.24230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_186941
abbrev: FA 19:3;O2

methyl 9-hydroperoxy-10,12-epidioxy-13,15-octadecadienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-4-5-9-12-16-15-18(25-24-16)17(23-21)13-10-7-6-8-11-14-19(20)22-2/h4-5,9,12,16-18,21H,3,6-8,10-11,13-15H2,1-2H3/b5-4+,12-9+
inchikey: RLEJYTIPIQLNLV-OWZSENBOSA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O4

methyl 13,15-epidioxy-16-hydroperoxy-9,11-octadecadienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-17(23-21)18-15-16(24-25-18)13-11-9-7-5-4-6-8-10-12-14-19(20)22-2/h7,9,11,13,16-18,21H,3-6,8,10,12,14-15H2,1-2H3/b9-7+,13-11+
inchikey: ZXMQUTOSCPQVII-PTSVWTKZSA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O4

methyl 10,12-epidioxy-13-hydroperoxy-8E,15Z-octadecadienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-4-9-13-17(23-21)18-15-16(24-25-18)12-10-7-5-6-8-11-14-19(20)22-2/h4,9-10,12,16-18,21H,3,5-8,11,13-15H2,1-2H3/b9-4-,12-10+
inchikey: OQTORMRWKPKCSO-XHISVFOESA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_186141
abbrev: FA 19:3;O4

methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-12-16-15-18(25-24-16)17(23-21)13-10-8-6-4-5-7-9-11-14-19(20)22-2/h3,8,10,12,16-18,21H,4-7,9,11,13-15H2,1-2H3/b10-8-,12-3+
inchikey: AYJPVJZMJVVOFU-RQIWQTQWSA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O4

methyl 9,12-dihydroperoxy-10E,13E,15Z-octadecatrienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-4-5-9-12-17(24-21)15-16-18(25-22)13-10-7-6-8-11-14-19(20)23-2/h4-5,9,12,15-18,21-22H,3,6-8,10-11,13-14H2,1-2H3/b5-4-,12-9+,16-15+
inchikey: GIYLADJCFNKDBC-SWPGUSFKSA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_190111
abbrev: FA 19:3;O4

methyl 9,16-dihydroperoxy-10E,12,14E-octadecatrienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-17(24-21)13-9-7-8-11-15-18(25-22)14-10-5-4-6-12-16-19(20)23-2/h7-9,11,13,15,17-18,21-22H,3-6,10,12,14,16H2,1-2H3/b8-7+,13-9+,15-11+
inchikey: UCGDFIITNRZSQM-CQKWMTPNSA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O4

methyl 13,16-dihydroperoxy-9Z,11E,14E-octadecatrienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-17(24-21)15-16-18(25-22)13-11-9-7-5-4-6-8-10-12-14-19(20)23-2/h7,9,11,13,15-18,21-22H,3-6,8,10,12,14H2,1-2H3/b9-7-,13-11+,16-15+
inchikey: VLSAMZWSXZHGGX-QWMFKHGWSA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O4

methyl 10,12-dihydroperoxy-8E,13E,15Z-octadecatrienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-4-5-10-13-17(24-21)16-18(25-22)14-11-8-6-7-9-12-15-19(20)23-2/h4-5,10-11,13-14,17-18,21-22H,3,6-9,12,15-16H2,1-2H3/b5-4-,13-10+,14-11+
inchikey: BGOZUGHQDFEPNG-VFWXGKICSA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O4

methyl 13,15-dihydroperoxy-9Z,11E,16E-octadecatrienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-13-17(24-21)16-18(25-22)14-11-9-7-5-4-6-8-10-12-15-19(20)23-2/h3,7,9,11,13-14,17-18,21-22H,4-6,8,10,12,15-16H2,1-2H3/b9-7-,13-3+,14-11+
inchikey: KHLRSDSKUCXNKZ-YQACTPRESA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O4

methyl 10,16-dihydroperoxy-8E,12Z,14E-octadecatrienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-17(24-21)13-10-8-11-15-18(25-22)14-9-6-4-5-7-12-16-19(20)23-2/h8-11,13-14,17-18,21-22H,3-7,12,15-16H2,1-2H3/b11-8-,13-10+,14-9+
inchikey: VSFQDXUQTUGXLX-KKNMDFSBSA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O4

methyl 9,15-dihydroperoxy-10E,12Z,16E-octadecatrienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-12-17(24-21)13-9-7-10-15-18(25-22)14-8-5-4-6-11-16-19(20)23-2/h3,7,9-10,12,15,17-18,21-22H,4-6,8,11,13-14,16H2,1-2H3/b9-7-,12-3+,15-10+
inchikey: UITLMMCUHHCJIE-VAMYCPJWSA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O4

methyl 9-hydroperoxy-10,12,13,15-bisepidioxy-16E-octadecenoate
type: Class
formula: C19H32O8
inchi: InChI=1S/C19H32O8/c1-3-9-14-12-16(25-24-14)18-13-17(26-27-18)15(23-21)10-7-5-4-6-8-11-19(20)22-2/h3,9,14-18,21H,4-8,10-13H2,1-2H3/b9-3+
inchikey: WBDZRMWZSZDXFJ-YCRREMRBSA-N
monoisotopicmass: 3.88209721E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_141529
abbrev: FA 19:3;O6

methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8E-octadecenoate
type: Class
formula: C19H32O8
inchi: InChI=1S/C19H32O8/c1-3-15(23-21)17-13-18(27-26-17)16-12-14(24-25-16)10-8-6-4-5-7-9-11-19(20)22-2/h8,10,14-18,21H,3-7,9,11-13H2,1-2H3/b10-8+
inchikey: HDHNZAODPDSIEW-CSKARUKUSA-N
monoisotopicmass: 3.88209721E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_186353
abbrev: FA 19:3;O6

methyl 11-(3,5-epidioxy-2-ethyl-cyclopentyl)-9-hydroperoxy-10-undecenoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-15-16(18-13-17(15)24-25-18)12-11-14(23-21)9-7-5-4-6-8-10-19(20)22-2/h11-12,14-18,21H,3-10,13H2,1-2H3/b12-11+
inchikey: MJUWCOUUJKOCJT-VAWYXSNFSA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O4

methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate
type: Class
formula: C22H36O6
inchi: InChI=1S/C22H36O6/c1-3-17(26-24)14-15-19-18(20-16-21(19)28-27-20)12-10-8-6-4-5-7-9-11-13-22(23)25-2/h10,12,14-15,17-21,24H,3-9,11,13,16H2,1-2H3/b12-10+,15-14+
inchikey: SGTSZTLPOBUMKG-CXQIITPCSA-N
monoisotopicmass: 3.96251191E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 22:4;O4

methyl 9-hydroperoxy-10,13-epdioxy-11,15-octadecadienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-4-8-11-16-14-15-18(25-24-16)17(23-21)12-9-6-5-7-10-13-19(20)22-2/h4,8,14-18,21H,3,5-7,9-13H2,1-2H3/b8-4+
inchikey: QYIHGBRMANIEFK-XBXARRHUSA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O4

methyl 12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoate
type: Class
formula: C19H32O6
inchi: InChI=1S/C19H32O6/c1-3-17(23-21)18-15-14-16(24-25-18)12-10-8-6-4-5-7-9-11-13-19(20)22-2/h8,10,14-18,21H,3-7,9,11-13H2,1-2H3/b10-8+
inchikey: NEFBFYIAKJRRAE-CSKARUKUSA-N
monoisotopicmass: 3.56219891E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O4

methyl 10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoate
type: Class
formula: C19H32O8
inchi: InChI=1S/C19H32O8/c1-3-14-11-12-16(25-24-14)18-13-17(26-27-18)15(23-21)9-7-5-4-6-8-10-19(20)22-2/h11-12,14-18,21H,3-10,13H2,1-2H3
inchikey: LWTWZXHNYOALAJ-UHFFFAOYSA-N
monoisotopicmass: 3.88209721E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_187238
abbrev: FA 19:3;O6

methyl 9,12,13,15-bisepidioxy-16-hydroperoxy-10-octadecenoate
type: Class
formula: C19H32O8
inchi: InChI=1S/C19H32O8/c1-3-15(23-21)17-13-18(27-26-17)16-12-11-14(24-25-16)9-7-5-4-6-8-10-19(20)22-2/h11-12,14-18,21H,3-10,13H2,1-2H3
inchikey: QAMDHRQSVQULEB-UHFFFAOYSA-N
monoisotopicmass: 3.88209721E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_185737
abbrev: FA 19:3;O6

methyl 5-hydroperoxy-6,8,9,11-bisepidioxy-12,14-eicosadienoate
type: Class
formula: C21H34O8
inchi: InChI=1S/C21H34O8/c1-3-4-5-6-7-8-9-11-16-14-18(27-26-16)20-15-19(28-29-20)17(25-23)12-10-13-21(22)24-2/h7-9,11,16-20,23H,3-6,10,12-15H2,1-2H3/b8-7+,11-9+
inchikey: OBEKWAFMLDTVLC-MFDVASPDSA-N
monoisotopicmass: 4.14225371E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_169095
abbrev: FA 21:4;O6

9S-HpHtrE
type: Class
formula: C16H26O4
inchi: InChI=1S/C16H26O4/c1-2-3-4-6-9-12-15(20-19)13-10-7-5-8-11-14-16(17)18/h4,6-7,9-10,12,15,19H,2-3,5,8,11,13-14H2,1H3,(H,17,18)/b6-4-,10-7-,12-9+/t15-/m1/s1
inchikey: AUZJQVBAOHTWPL-FJQSMFNXSA-N
monoisotopicmass: 2.8218311E2
label: 9S-hydroperoxy-6Z,10E,12Z-hexadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10104
abbrev: FA 16:3;O2

2-hydroxy-tetradecanoic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m0/s1
inchikey: JYZJYKOZGGEXSX-ZDUSSCGKSA-N
monoisotopicmass: 2.44203846E2
label: alpha-hydroxy myristic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_85937
abbrev: FA 14:0;O

(+/-)alpha-hydoxy butyric acid
type: Class
formula: C4H8O3
inchi: InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
inchikey: AFENDNXGAFYKQO-UHFFFAOYSA-N
monoisotopicmass: 1.04047345E2
label: 2-hydroxy-butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI 1148
abbrev: FA 4:0;O

3-hydroxy-butanoic acid
type: Class
formula: C4H8O3
inchi: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
inchikey: WHBMMWSBFZVSSR-UHFFFAOYSA-N
monoisotopicmass: 1.04047345E2
label: D(-)-beta-hydroxy butyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_20067
abbrev: FA 4:0;O

4-hydroxy-butanoic acid
type: Class
formula: C4H8O3
inchi: InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
inchikey: SJZRECIVHVDYJC-UHFFFAOYSA-N
monoisotopicmass: 1.04047345E2
label: 4-hydroxy-butyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_30830
equivalent class: SLM_000389796
abbrev: FA 4:0;O

2-hydroxy-pentanoic acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
inchikey: JRHWHSJDIILJAT-UHFFFAOYSA-N
monoisotopicmass: 1.18062995E2
label: DL-2-hydroxy valeric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_60647
abbrev: FA 5:0;O

3-hydroxy valeric acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
inchikey: REKYPYSUBKSCAT-UHFFFAOYSA-N
monoisotopicmass: 1.18062995E2
label: 3-hydroxy-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_139272
abbrev: FA 5:0;O

4-hydroxy-pentanoic acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
inchikey: FMHKPLXYWVCLME-UHFFFAOYSA-N
monoisotopicmass: 1.18062995E2
label: 4-hydroxy-valeric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180192
abbrev: FA 5:0;O

5-hydroxy valeric acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)
inchikey: PHOJOSOUIAQEDH-UHFFFAOYSA-N
monoisotopicmass: 1.18062995E2
label: 5-hydroxy-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_45564
abbrev: FA 5:0;O

2-hydroxy-hexanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
inchikey: NYHNVHGFPZAZGA-UHFFFAOYSA-N
monoisotopicmass: 1.32078645E2
label: DL-2-hydroxy caproic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_86542
abbrev: FA 6:0;O

3-hydroxy-hexanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
inchikey: HPMGFDVTYHWBAG-UHFFFAOYSA-N
monoisotopicmass: 1.32078645E2
label: DL-3-hydroxy caproic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_37035
abbrev: FA 6:0;O

4-hydroxy-hexanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-2-5(7)3-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
inchikey: ABIKNKURIGPIRJ-UHFFFAOYSA-N
monoisotopicmass: 1.32078645E2
label: DL-4-hydroxy caproic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179643
abbrev: FA 6:0;O

5-hydroxy caproic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
inchikey: YDCRNMJQROAWFT-UHFFFAOYSA-N
monoisotopicmass: 1.32078645E2
label: 5-hydroxy-hexanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_131434
abbrev: FA 6:0;O

6-hydroxy caproic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)
inchikey: IWHLYPDWHHPVAA-UHFFFAOYSA-N
monoisotopicmass: 1.32078645E2
label: 6-hydroxy-hexanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_17869
abbrev: FA 6:0;O

2-hydroxy enanthoic acid
type: Class
formula: C7H14O3
inchi: InChI=1S/C7H14O3/c1-2-3-4-5-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
inchikey: RGMMREBHCYXQMA-UHFFFAOYSA-N
monoisotopicmass: 1.46094295E2
label: 2-hydroxy-heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_73752
abbrev: FA 7:0;O

4-hydroxy enanthoic acid
type: Class
formula: C7H14O3
inchi: InChI=1S/C7H14O3/c1-2-3-6(8)4-5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
inchikey: MYCCAWPBMVOJQF-UHFFFAOYSA-N
monoisotopicmass: 1.46094295E2
label: 4-hydroxy-heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165410
abbrev: FA 7:0;O

5-hydroxy-heptanoic acid
type: Class
formula: C7H14O3
inchi: InChI=1S/C7H14O3/c1-2-6(8)4-3-5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
inchikey: ICKVZOWXZYBERI-UHFFFAOYSA-N
monoisotopicmass: 1.46094295E2
label: delta-hydroxy enanthoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179444
abbrev: FA 7:0;O

7-hydroxy-heptanoic acid
type: Class
formula: C7H14O3
inchi: InChI=1S/C7H14O3/c8-6-4-2-1-3-5-7(9)10/h8H,1-6H2,(H,9,10)
inchikey: PNAJBOZYCFSQDJ-UHFFFAOYSA-N
monoisotopicmass: 1.46094295E2
label: omega-hydroxy enanthoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_79112
abbrev: FA 7:0;O

2-hydroxy caprylic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
inchikey: JKRDADVRIYVCCY-UHFFFAOYSA-N
monoisotopicmass: 1.60109945E2
label: 2-hydroxy-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_86543
abbrev: FA 8:0;O

3-hydroxy caprylic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
inchikey: NDPLAKGOSZHTPH-UHFFFAOYSA-N
monoisotopicmass: 1.60109945E2
label: 3-hydroxy-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_37098
abbrev: FA 8:0;O

6-hydroxy caprylic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-2-7(9)5-3-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
inchikey: BUKOWKOPJSGGQK-UHFFFAOYSA-N
monoisotopicmass: 1.60109945E2
label: 6-hydroxy-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180038
abbrev: FA 8:0;O

8-hydroxy caprylic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11)
inchikey: KDMSVYIHKLZKET-UHFFFAOYSA-N
monoisotopicmass: 1.60109945E2
label: 8-hydroxy-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_79162
abbrev: FA 8:0;O

2-hydroxy pelargonic acid
type: Class
formula: C9H18O3
inchi: InChI=1S/C9H18O3/c1-2-3-4-5-6-7-8(10)9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
inchikey: BTJFTHOOADNOOS-UHFFFAOYSA-N
monoisotopicmass: 1.74125595E2
label: 2-hydroxy-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_73753
abbrev: FA 9:0;O

(+)-3-hydroxy pelargonic acid
type: Class
formula: C9H18O3
inchi: InChI=1S/C9H18O3/c1-2-3-4-5-6-8(10)7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
inchikey: XBUXARJOYUQNTC-UHFFFAOYSA-N
monoisotopicmass: 1.74125595E2
label: 3-hydroxy-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_156185
abbrev: FA 9:0;O

4-hydroxy pelargonic acid
type: Class
formula: C9H18O3
inchi: InChI=1S/C9H18O3/c1-2-3-4-5-8(10)6-7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
inchikey: IKOSQCITEZUTOE-UHFFFAOYSA-N
monoisotopicmass: 1.74125595E2
label: 4-hydroxy-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165411
abbrev: FA 9:0;O

7-hydroxy pelargonic acid
type: Class
formula: C9H18O3
inchi: InChI=1S/C9H18O3/c1-2-8(10)6-4-3-5-7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
inchikey: MWIPYAMYXNEILL-UHFFFAOYSA-N
monoisotopicmass: 1.74125595E2
label: 7-hydroxy-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180197
abbrev: FA 9:0;O

9-hydroxy pelargonic acid
type: Class
formula: C9H18O3
inchi: InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)
inchikey: AFZMICRBFKZNIH-UHFFFAOYSA-N
monoisotopicmass: 1.74125595E2
label: 9-hydroxy-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_79121
abbrev: FA 9:0;O

2-hydroxy capric acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
inchikey: GHPVDCPCKSNJDR-UHFFFAOYSA-N
monoisotopicmass: 1.88141245E2
label: 2-hydroxy-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_133172
abbrev: FA 10:0;O

4-hydroxy capric acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-2-3-4-5-6-9(11)7-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
inchikey: QQAVZEYXLCYOKO-UHFFFAOYSA-N
monoisotopicmass: 1.88141245E2
label: 4-hydroxy-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165409
abbrev: FA 10:0;O

5-hydroxy capric acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
inchikey: LMHJFKYQYDSOQO-UHFFFAOYSA-N
monoisotopicmass: 1.88141245E2
label: 5-hydroxy-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165412
abbrev: FA 10:0;O

10-hydroxy capric acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)
inchikey: YJCJVMMDTBEITC-UHFFFAOYSA-N
monoisotopicmass: 1.88141245E2
label: 10-hydroxy-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_17409
abbrev: FA 10:0;O

2-hydroxy hendecanoic acid
type: Class
formula: C11H22O3
inchi: InChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
inchikey: MNRBGFKCVTVNBA-UHFFFAOYSA-N
monoisotopicmass: 2.02156895E2
label: 2-hydroxy-undecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_178413
abbrev: FA 11:0;O

11-hydroxy-undecanoic acid
type: Class
formula: C11H22O3
inchi: InChI=1S/C11H22O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1-10H2,(H,13,14)
inchikey: KNRCBASNXNXUQQ-UHFFFAOYSA-N
monoisotopicmass: 2.02156895E2
label: omega-hydroxy hendecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_79126
abbrev: FA 11:0;O

2-hydroxy-dodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
inchikey: YDZIJQXINJLRLL-UHFFFAOYSA-N
monoisotopicmass: 2.16172545E2
label: alpha-hydroxy lauric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_36211
abbrev: FA 12:0;O

3-hydroxy-dodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
inchikey: MUCMKTPAZLSKTL-UHFFFAOYSA-N
monoisotopicmass: 2.16172545E2
label: beta-hydroxylauric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_36206
abbrev: FA 12:0;O

4-hydroxy lauric acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
inchikey: UZNDHCZORMBARB-UHFFFAOYSA-N
monoisotopicmass: 2.16172545E2
label: 4-hydroxy-dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_36214
abbrev: FA 12:0;O

12-hydroxy-dodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
inchikey: ZDHCZVWCTKTBRY-UHFFFAOYSA-N
monoisotopicmass: 2.16172545E2
label: Sabinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_39567
equivalent class: SLM_000389676
abbrev: FA 12:0;O

2-hydroxy-tridecanoic acid
type: Class
formula: C13H26O3
inchi: InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
inchikey: KCEUZVYQPROALO-UHFFFAOYSA-N
monoisotopicmass: 2.30188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_84852
abbrev: FA 13:0;O

4-hydroxy-tridecanoic acid
type: Class
formula: C13H26O3
inchi: InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-12(14)10-11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
inchikey: XGRUVWYMXLQICK-UHFFFAOYSA-N
monoisotopicmass: 2.30188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180393
abbrev: FA 13:0;O

13-hydroxy-tridecanoic acid
type: Class
formula: C13H26O3
inchi: InChI=1S/C13H26O3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h14H,1-12H2,(H,15,16)
inchikey: DWXOPJCPYKBNEC-UHFFFAOYSA-N
monoisotopicmass: 2.30188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_79166
abbrev: FA 13:0;O

14-hydroxy-tetradecanoic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h15H,1-13H2,(H,16,17)
inchikey: JOSXCARTDOQGLV-UHFFFAOYSA-N
monoisotopicmass: 2.44203846E2
label: omega-hydroxy myristic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_77168
equivalent class: SLM_000389677
abbrev: FA 14:0;O

2-hydroxy-pentadecanoic acid
type: Class
formula: C15H30O3
inchi: InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
inchikey: NKASEPJANRVKDD-UHFFFAOYSA-N
monoisotopicmass: 2.58219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_84853
abbrev: FA 15:0;O

11-hydroxy-pentadecanoic acid
type: Class
formula: C15H30O3
inchi: InChI=1S/C15H30O3/c1-2-3-11-14(16)12-9-7-5-4-6-8-10-13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
inchikey: UMFHUOABFXSVIU-UHFFFAOYSA-N
monoisotopicmass: 2.58219496E2
label: Convolvulinolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 15:0;O

2-hydroxy palmitic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
inchikey: JGHSBPIZNUXPLA-UHFFFAOYSA-N
monoisotopicmass: 2.72235146E2
label: 2-hydroxy-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_65101
equivalent class: SLM_000000389
abbrev: FA 16:0;O

4-hydroxy-hexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
inchikey: SPZURESODGZJAL-UHFFFAOYSA-N
monoisotopicmass: 2.72235146E2
label: Kerrolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_196263
abbrev: FA 16:0;O

11-hydroxy palmitic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
inchikey: YNQGVRJFSHTULP-UHFFFAOYSA-N
monoisotopicmass: 2.72235146E2
label: 11-hydroxy-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_196262
abbrev: FA 16:0;O

14-hydroxy palmitic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
inchikey: KBDZCYDPGRYCRM-UHFFFAOYSA-N
monoisotopicmass: 2.72235146E2
label: 14-hydroxy-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_83937
abbrev: FA 16:0;O

16-hydroxy-hexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
inchikey: UGAGPNKCDRTDHP-UHFFFAOYSA-N
monoisotopicmass: 2.72235146E2
label: Juniperic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_55328
equivalent class: SLM_000389680
abbrev: FA 16:0;O

2-hydroxy-heptadecanoic acid
type: Class
formula: C17H34O3
inchi: InChI=1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20/h16,18H,2-15H2,1H3,(H,19,20)
inchikey: KUZABABLVHWUGR-UHFFFAOYSA-N
monoisotopicmass: 2.86250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_84854
abbrev: FA 17:0;O

17-hydroxy-heptadecanoic acid
type: Class
formula: C17H34O3
inchi: InChI=1S/C17H34O3/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h18H,1-16H2,(H,19,20)
inchikey: JHRQMZPLCYCFPI-UHFFFAOYSA-N
monoisotopicmass: 2.86250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_79177
abbrev: FA 17:0;O

2-hydroxy-nonadecanoic acid
type: Class
formula: C19H38O3
inchi: InChI=1S/C19H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h18,20H,2-17H2,1H3,(H,21,22)
inchikey: PYNCEZHRMYECCB-UHFFFAOYSA-N
monoisotopicmass: 3.14282096E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_84855
abbrev: FA 19:0;O

19-hydroxy-nonadecanoic acid
type: Class
formula: C19H38O3
inchi: InChI=1S/C19H38O3/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h20H,1-18H2,(H,21,22)
inchikey: LSEAKSNIGVHVQY-UHFFFAOYSA-N
monoisotopicmass: 3.14282096E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_79179
abbrev: FA 19:0;O

2-hydroxy-eicosanoic acid
type: Class
formula: C20H40O3
inchi: InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h19,21H,2-18H2,1H3,(H,22,23)
inchikey: CPLYLXYEVLGWFJ-UHFFFAOYSA-N
monoisotopicmass: 3.28297746E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_76992
equivalent class: SLM_000000833
abbrev: FA 20:0;O

3-hydroxy-eicosanoic acid
type: Class
formula: C20H40O3
inchi: InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)
inchikey: XXKHCFPQYSMGCI-UHFFFAOYSA-N
monoisotopicmass: 3.28297746E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_52347
equivalent class: SLM_000000824
abbrev: FA 20:0;O

20-hydroxy-arachidic acid
type: Class
formula: C20H40O3
inchikey: JLDIWYKSFMPIDW-UHFFFAOYSA-N
monoisotopicmass: 3.28297746E2
label: 20-hydroxy-eicosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_79190
abbrev: FA 20:0;O

21-hydroxy-heneicosanoic acid
type: Class
formula: C21H42O3
inchikey: NENJNFMRWQAPAC-UHFFFAOYSA-N
monoisotopicmass: 3.42313396E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_79195
abbrev: FA 21:0;O

2-hydroxy behenic
type: Class
formula: C22H44O3
inchikey: RPGJJWLCCOPDAZ-UHFFFAOYSA-N
monoisotopicmass: 3.56329046E2
label: 2-hydroxy-docosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/104
equivalent class: CHEBI_76980
equivalent class: SLM_000000828
abbrev: FA 22:0;O

(+)-3-hydroxy behenic
type: Class
formula: C22H44O3
inchi: InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
inchikey: PNPWTPYWWUOMDS-UHFFFAOYSA-N
monoisotopicmass: 3.56329046E2
label: 3-hydroxy-docosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/104
equivalent class: CHEBI_52348
abbrev: FA 22:0;O

22-hydroxy-docosanoic acid
type: Class
formula: C22H44O3
inchikey: IBPVZXPSTLXWCG-UHFFFAOYSA-N
monoisotopicmass: 3.56329046E2
label: Phellonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/104
equivalent class: CHEBI_76322
equivalent class: SLM_000389363
abbrev: FA 22:0;O

2-hydroxy-tetracosanoic acid
type: Class
formula: C24H48O3
inchikey: MSUOLNSQHLHDAS-UHFFFAOYSA-N
monoisotopicmass: 3.84360346E2
label: DL-Cerebronic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_61302
equivalent class: SLM_000000830
abbrev: FA 24:0;O

3,11-dihydroxy-tetradecanoic acid
type: Class
formula: C14H28O4
inchi: InChI=1S/C14H28O4/c1-2-8-12(15)9-6-4-3-5-7-10-13(16)11-14(17)18/h12-13,15-16H,2-11H2,1H3,(H,17,18)
inchikey: AVKYODWULTZQPQ-UHFFFAOYSA-N
monoisotopicmass: 2.60198761E2
label: Ipurolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187431
abbrev: FA 14:0;O2

2,15-dihydroxy-pentadecanoic acid
type: Class
formula: C15H30O4
inchi: InChI=1S/C15H30O4/c16-13-11-9-7-5-3-1-2-4-6-8-10-12-14(17)15(18)19/h14,16-17H,1-13H2,(H,18,19)
inchikey: BYSNBUIZJVDCKG-UHFFFAOYSA-N
monoisotopicmass: 2.74214411E2
label: 2,15-dihydroxy-pentadecylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_168166
abbrev: FA 15:0;O2

3,12-dihydroxy palmitic acid
type: Class
formula: C16H32O4
inchi: InChI=1S/C16H32O4/c1-2-3-10-14(17)11-8-6-4-5-7-9-12-15(18)13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)
inchikey: FEIUPFRYFFTGFY-UHFFFAOYSA-N
monoisotopicmass: 2.88230061E2
label: 3,12-dihydroxy-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179895
abbrev: FA 16:0;O2

15,16-dihydroxy-hexadecanoic acid
type: Class
formula: C16H32O4
inchi: InChI=1S/C16H32O4/c17-14-15(18)12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)
inchikey: LFTOYWCRNBAZKX-UHFFFAOYSA-N
monoisotopicmass: 2.88230061E2
label: Ustilic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165423
abbrev: FA 16:0;O2

11,12-dihydroxy arachidic acid
type: Class
formula: C20H40O4
inchi: InChI=1S/C20H40O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h18-19,21-22H,2-17H2,1H3,(H,23,24)
inchikey: DQAUXZPAFJGMFY-UHFFFAOYSA-N
monoisotopicmass: 3.44292661E2
label: 11,12-dihydroxy-eicosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_196364
abbrev: FA 20:0;O2

3,4,5-trihydroxy-hexanoic acid
type: Class
formula: C6H12O5
inchi: InChI=1S/C6H12O5/c1-3(7)6(11)4(8)2-5(9)10/h3-4,6-8,11H,2H2,1H3,(H,9,10)
inchikey: GANHVRLFUFUPED-UHFFFAOYSA-N
monoisotopicmass: 1.64068475E2
label: Digitoxic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_137774
abbrev: FA 6:0;O3

2,15,16-trihydroxy palmitic acid
type: Class
formula: C16H32O5
inchi: InChI=1S/C16H32O5/c17-14(16(20)21)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h14-15,17-19H,1-13H2,(H,20,21)
inchikey: IJBFCIWULVHRPT-UHFFFAOYSA-N
monoisotopicmass: 3.04224976E2
label: 2,15,16-trihydroxy-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187386
abbrev: FA 16:0;O3

8,9,16-trihydroxy palmitic acid
type: Class
formula: C16H32O5
inchi: InChI=1S/C16H32O5/c17-13-9-5-1-2-6-10-14(18)15(19)11-7-3-4-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)
inchikey: QYFKWJDDTDCJRS-UHFFFAOYSA-N
monoisotopicmass: 3.04224976E2
label: 8,9,16-trihydroxy-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165416
abbrev: FA 16:0;O3

9,10,16-trihydroxy-hexadecanoic acid
type: Class
formula: C16H32O5
inchi: InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)
inchikey: MEHUJCGAYMDLEL-UHFFFAOYSA-N
monoisotopicmass: 3.04224976E2
label: Aleuritic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_177476
abbrev: FA 16:0;O3

11,12,15-trihydroxy palmitic acid
type: Class
formula: C16H32O5
inchi: InChI=1S/C16H32O5/c1-13(17)10-11-15(19)12-14(18)8-6-4-2-3-5-7-9-16(20)21/h13-15,17-19H,2-12H2,1H3,(H,20,21)
inchikey: SVZYWAXPIAVKCO-UHFFFAOYSA-N
monoisotopicmass: 3.04224976E2
label: 11,12,15-trihydroxy-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187851
abbrev: FA 16:0;O3

16-hydroxy-7-hexadecenoic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h2,4,17H,1,3,5-15H2,(H,18,19)/b4-2+
inchikey: MKIFOPBVDBXRTO-DUXPYHPUSA-N
monoisotopicmass: 2.70219496E2
label: Ambrettolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 16:1;O

14-hydroxy-11Z-eicosenoic acid
type: Class
formula: C20H38O3
inchi: InChI=1S/C20H38O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h11,14,19,21H,2-10,12-13,15-18H2,1H3,(H,22,23)/b14-11-
inchikey: OONXYOAWMIVMCI-KAMYIIQDSA-N
monoisotopicmass: 3.26282096E2
label: Lesquerolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165421
abbrev: FA 20:1;O

9,13-dihydroxy-10-ethoxy-11-octadecenoic acid
type: Class
formula: C20H38O5
inchi: InChI=1S/C20H38O5/c1-3-5-9-12-17(21)15-16-19(25-4-2)18(22)13-10-7-6-8-11-14-20(23)24/h15-19,21-22H,3-14H2,1-2H3,(H,23,24)/b16-15+
inchikey: BHDZXVBBVBHNKG-FOCLMDBBSA-N
monoisotopicmass: 3.58271926E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165418
abbrev: FA 20:1;O3

9,13-dihydroxy-12-ethoxy-10-octadecenoic acid
type: Class
formula: C20H38O5
inchi: InChI=1S/C20H38O5/c1-3-5-9-13-18(22)19(25-4-2)16-15-17(21)12-10-7-6-8-11-14-20(23)24/h15-19,21-22H,3-14H2,1-2H3,(H,23,24)/b16-15+
inchikey: IEEBTNFNSJRPDT-FOCLMDBBSA-N
monoisotopicmass: 3.58271926E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_185291
abbrev: FA 20:1;O3

8R-hydroxy-4Z,6E,10Z-hexadecatrienoic acid
type: Class
formula: C16H26O3
inchi: InChI=1S/C16H26O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6-10,13,15,17H,2-5,11-12,14H2,1H3,(H,18,19)/b8-7-,9-6-,13-10+/t15-/m1/s1
inchikey: KBOVKDIBOBQLRS-QCNAHCIUSA-N
monoisotopicmass: 2.66188195E2
label: Tetranor-12R-HETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_72605
abbrev: FA 16:3;O

12S-hydroxy-16-heptadecynoic acid
type: Class
formula: C17H30O3
inchi: InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)/t16-/m1/s1
inchikey: HBFCVDJQUPEEIC-MRXNPFEDSA-N
monoisotopicmass: 2.82219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165400
abbrev: FA 17:2;O

methyl 9,12-dihydroxy-13-oxo-10-octadecenoate
type: Class
formula: C19H34O5
inchi: InChI=1S/C19H34O5/c1-3-4-8-12-17(21)18(22)15-14-16(20)11-9-6-5-7-10-13-19(23)24-2/h14-16,18,20,22H,3-13H2,1-2H3/b15-14+
inchikey: ANQDBAGCBZAGCW-CCEZHUSRSA-N
monoisotopicmass: 3.42240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_179280
abbrev: FA 19:2;O3

methyl 10,13-dihydroxy-9-oxo-11-octadecenoate
type: Class
formula: C19H34O5
inchi: InChI=1S/C19H34O5/c1-3-4-8-11-16(20)14-15-18(22)17(21)12-9-6-5-7-10-13-19(23)24-2/h14-16,18,20,22H,3-13H2,1-2H3/b15-14+
inchikey: DNLXPMRSEDEAPV-CCEZHUSRSA-N
monoisotopicmass: 3.42240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_179281
abbrev: FA 19:2;O3

methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate
type: Class
formula: C17H26O5
inchi: InChI=1S/C17H26O5/c1-22-17(21)10-6-4-2-3-5-8-13-14(9-7-11-18)16(20)12-15(13)19/h7,9,11,13-14,16,20H,2-6,8,10,12H2,1H3/b9-7+
inchikey: HJQXDNVSMCDIJM-VQHVLOKHSA-N
monoisotopicmass: 3.10178025E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_143034
abbrev: FA 17:4;O3

methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate
type: Class
formula: C13H18O5
inchi: InChI=1S/C13H18O5/c1-18-13(17)6-2-4-9-10(5-3-7-14)12(16)8-11(9)15/h3,5,7,9-10,12,16H,2,4,6,8H2,1H3/b5-3+
inchikey: GMLSPPGVFGIUKF-HWKANZROSA-N
monoisotopicmass: 2.54115425E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_168669
abbrev: FA 13:4;O3

3-hydroxy-decanoic acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
inchikey: FYSSBMZUBSBFJL-UHFFFAOYSA-N
monoisotopicmass: 1.88141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_132983
abbrev: FA 10:0;O

6-hydroxy-decanoic acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
inchikey: FVYMNKYNSBBJCT-UHFFFAOYSA-N
monoisotopicmass: 1.88141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179161
abbrev: FA 10:0;O

7-hydroxy-decanoic acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-2-6-9(11)7-4-3-5-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
inchikey: BUAGALXJUKFYCZ-UHFFFAOYSA-N
monoisotopicmass: 1.88141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179160
abbrev: FA 10:0;O

9-hydroxy-decanoic acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
inchikey: UOQXHXSPGSKEGI-UHFFFAOYSA-N
monoisotopicmass: 1.88141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 10:0;O

10-hydroxy-2E-decenoic acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)/b8-6+
inchikey: QHBZHVUGQROELI-SOFGYWHQSA-N
monoisotopicmass: 1.86125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_78668
abbrev: FA 10:1;O

9-hydroxy-2E-decenoic acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8-9,11H,2-5,7H2,1H3,(H,12,13)/b8-6+
inchikey: DZBLNYYGAKHAOJ-SOFGYWHQSA-N
monoisotopicmass: 1.86125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180141
abbrev: FA 10:1;O

10-hydroxy-2Z-decenoic acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)/b8-6-
inchikey: QHBZHVUGQROELI-VURMDHGXSA-N
monoisotopicmass: 1.86125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180140
abbrev: FA 10:1;O

10-hydroxy-8E-decenoic acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,1-4,6,8-9H2,(H,12,13)/b7-5+
inchikey: RCXJFGCVOBRFEH-FNORWQNLSA-N
monoisotopicmass: 1.86125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_138752
abbrev: FA 10:1;O

10-hydroxy-undecanoic acid
type: Class
formula: C11H22O3
inchi: InChI=1S/C11H22O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
inchikey: UHZWUNLTEZCDMA-UHFFFAOYSA-N
monoisotopicmass: 2.02156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 11:0;O

3-hydroxy-undecanoic acid
type: Class
formula: C11H22O3
inchi: InChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
inchikey: FARPMBPKLYEDIL-UHFFFAOYSA-N
monoisotopicmass: 2.02156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_172064
abbrev: FA 11:0;O

4-hydroxy-undecanoic acid
type: Class
formula: C11H22O3
inchi: InChI=1S/C11H22O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
inchikey: XEXIVNNTJNBUGV-UHFFFAOYSA-N
monoisotopicmass: 2.02156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179316
abbrev: FA 11:0;O

2-hydroxy-10-undecenoic acid
type: Class
formula: C11H20O3
inchi: InChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h2,10,12H,1,3-9H2,(H,13,14)
inchikey: NOAFRVYUFCNMLG-UHFFFAOYSA-N
monoisotopicmass: 2.00141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_138427
abbrev: FA 11:1;O

11-hydroxy-dodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
inchikey: KQGAHNAFXMVSGY-UHFFFAOYSA-N
monoisotopicmass: 2.16172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_76937
equivalent class: SLM_000389382
abbrev: FA 12:0;O

7-hydroxy-dodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-2-3-5-8-11(13)9-6-4-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
inchikey: BNWKMHUFFKDAMV-UHFFFAOYSA-N
monoisotopicmass: 2.16172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_85510
abbrev: FA 12:0;O

9-hydroxy-dodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-2-8-11(13)9-6-4-3-5-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
inchikey: XKNUGGWMUJBFJT-UHFFFAOYSA-N
monoisotopicmass: 2.16172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_167568
abbrev: FA 12:0;O

12-hydroxy-10-dodecenoic acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9,13H,1-6,8,10-11H2,(H,14,15)/b9-7+
inchikey: MEUNNLKXZZWRAR-VQHVLOKHSA-N
monoisotopicmass: 2.14156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180017
abbrev: FA 12:1;O

10-hydroxy-11-dodecenoic acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c1-2-11(13)9-7-5-3-4-6-8-10-12(14)15/h2,11,13H,1,3-10H2,(H,14,15)
inchikey: MEUHQOZYCJHRAS-UHFFFAOYSA-N
monoisotopicmass: 2.14156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165399
abbrev: FA 12:1;O

12-hydroxy-3Z-dodecenoic acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h6,8,13H,1-5,7,9-11H2,(H,14,15)/b8-6-
inchikey: RRJILZUCEDMMNU-VURMDHGXSA-N
monoisotopicmass: 2.14156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180018
abbrev: FA 12:1;O

12-hydroxy-3Z,6Z-dodecadienoic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-2,6,8,13H,3-5,7,9-11H2,(H,14,15)/b2-1-,8-6-
inchikey: BSWDOBLGMLCOJP-NGNAIVRQSA-N
monoisotopicmass: 2.12141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_169476
abbrev: FA 12:2;O

3-hydroxy-tridecanoic acid
type: Class
formula: C13H26O3
inchi: InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-12(14)11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
inchikey: CWSNHZHHWHLJIM-UHFFFAOYSA-N
monoisotopicmass: 2.30188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_177435
abbrev: FA 13:0;O

10-hydroxy-tetradecanoic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c1-2-3-10-13(15)11-8-6-4-5-7-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
inchikey: WWQJYRLZAYKMGV-UHFFFAOYSA-N
monoisotopicmass: 2.44203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_167620
abbrev: FA 14:0;O

11-hydroxy-tetradecanoic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c1-2-10-13(15)11-8-6-4-3-5-7-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
inchikey: DMCZWEUMVOFXBT-UHFFFAOYSA-N
monoisotopicmass: 2.44203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_167619
abbrev: FA 14:0;O

3-hydroxy-tetradecanoic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
inchikey: ATRNZOYKSNPPBF-UHFFFAOYSA-N
monoisotopicmass: 2.44203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_85148
equivalent class: SLM_000390152
abbrev: FA 14:0;O

5-hydroxy-tetradecanoic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-10-13(15)11-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
inchikey: RIOQEURNPLKGHG-UHFFFAOYSA-N
monoisotopicmass: 2.44203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180372
abbrev: FA 14:0;O

6-hydroxy-tetradecanoic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
inchikey: XQMCCPUZOKUEHG-UHFFFAOYSA-N
monoisotopicmass: 2.44203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180371
abbrev: FA 14:0;O

14-hydroxy-12-tetradecenoic acid
type: Class
formula: C14H26O3
inchi: InChI=1S/C14H26O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h9,11,15H,1-8,10,12-13H2,(H,16,17)/b11-9+
inchikey: ICTIYYVVZNILKD-PKNBQFBNSA-N
monoisotopicmass: 2.42188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165401
abbrev: FA 14:1;O

14-hydroxy-12Z-tetradecenoic acid
type: Class
formula: C14H26O3
inchi: InChI=1S/C14H26O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h9,11,15H,1-8,10,12-13H2,(H,16,17)/b11-9-
inchikey: ICTIYYVVZNILKD-LUAWRHEFSA-N
monoisotopicmass: 2.42188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180096
abbrev: FA 14:1;O

12-hydroxy-13-tetradecenoic acid
type: Class
formula: C14H26O3
inchi: InChI=1S/C14H26O3/c1-2-13(15)11-9-7-5-3-4-6-8-10-12-14(16)17/h2,13,15H,1,3-12H2,(H,16,17)
inchikey: WFGNXJKDTYRJEV-UHFFFAOYSA-N
monoisotopicmass: 2.42188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180098
abbrev: FA 14:1;O

14-hydroxy-5Z-tetradecenoic acid
type: Class
formula: C14H26O3
inchi: InChI=1S/C14H26O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h4,6,15H,1-3,5,7-13H2,(H,16,17)/b6-4-
inchikey: XVNKMDSYLQAATP-XQRVVYSFSA-N
monoisotopicmass: 2.42188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180097
abbrev: FA 14:1;O

15-hydroxy-pentadecanoic acid
type: Class
formula: C15H30O3
inchi: InChI=1S/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)
inchikey: BZUNJUAMQZRJIP-UHFFFAOYSA-N
monoisotopicmass: 2.58219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_79169
equivalent class: SLM_000390156
abbrev: FA 15:0;O

3-hydroxy-pentadecanoic acid
type: Class
formula: C15H30O3
inchi: InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
inchikey: ATMSEJBABXCWDW-UHFFFAOYSA-N
monoisotopicmass: 2.58219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_176993
abbrev: FA 15:0;O

3,12-dihydroxy-pentadecanoic acid
type: Class
formula: C15H30O4
inchi: InChI=1S/C15H30O4/c1-2-9-13(16)10-7-5-3-4-6-8-11-14(17)12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)
inchikey: FSZLBXAVPUVPDY-UHFFFAOYSA-N
monoisotopicmass: 2.74214411E2
label: Turpetholic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_168912
abbrev: FA 15:0;O2

4-hydroxy-pentadecanoic acid
type: Class
formula: C15H30O3
inchi: InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
inchikey: ZXRHHICCGISHQG-UHFFFAOYSA-N
monoisotopicmass: 2.58219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_196493
abbrev: FA 15:0;O

4,12-dihydroxy-pentadecanoic acid
type: Class
formula: C15H30O4
inchi: InChI=1S/C15H30O4/c1-2-8-13(16)9-6-4-3-5-7-10-14(17)11-12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)
inchikey: QGZOSDDYSABQFX-UHFFFAOYSA-N
monoisotopicmass: 2.74214411E2
label: Turpetholic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 15:0;O2

15-hydroxy-hexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
inchikey: WQPQDBIUAFINBH-UHFFFAOYSA-N
monoisotopicmass: 2.72235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_83935
equivalent class: SLM_000390076
abbrev: FA 16:0;O

3-hydroxy-hexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
inchikey: CBWALJHXHCJYTE-UHFFFAOYSA-N
monoisotopicmass: 2.72235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_37248
equivalent class: SLM_000000822
abbrev: FA 16:0;O

4,12-dihydroxy-hexadecanoic acid
type: Class
formula: C16H32O4
inchi: InChI=1S/C16H32O4/c1-2-3-9-14(17)10-7-5-4-6-8-11-15(18)12-13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)
inchikey: QXNNRMXGPQQIRN-UHFFFAOYSA-N
monoisotopicmass: 2.88230061E2
label: Turpetholic acid C
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165408
abbrev: FA 16:0;O2

5-hydroxy-hexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
inchikey: GIEJMPHHFWMLHG-UHFFFAOYSA-N
monoisotopicmass: 2.72235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_196264
abbrev: FA 16:0;O

9,10-dihydroxy-hexadecanoic acid
type: Class
formula: C16H32O4
inchi: InChI=1S/C16H32O4/c1-2-3-4-8-11-14(17)15(18)12-9-6-5-7-10-13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)
inchikey: MHWBJDVXYSGJET-UHFFFAOYSA-N
monoisotopicmass: 2.88230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165417
abbrev: FA 16:0;O2

16-hydroxy-9E-hexadecenoic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3,17H,2,4-15H2,(H,18,19)/b3-1+
inchikey: RPQJFAIEPUKQHK-HNQUOIGGSA-N
monoisotopicmass: 2.70219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_137801
abbrev: FA 16:1;O

16-hydroxy-9Z-hexadecenoic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3,17H,2,4-15H2,(H,18,19)/b3-1-
inchikey: RPQJFAIEPUKQHK-IWQZZHSRSA-N
monoisotopicmass: 2.70219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_145299
abbrev: FA 16:1;O

12-hydroxy-8E,10E-heptadecadienoic acid
type: Class
formula: C17H30O3
inchi: InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h6,8,11,14,16,18H,2-5,7,9-10,12-13,15H2,1H3,(H,19,20)/b8-6+,14-11+
inchikey: INVCGLRLLKLTGP-SIGMCMEVSA-N
monoisotopicmass: 2.82219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_168099
abbrev: FA 17:2;O

12-hydroxy-5,8,10-heptadecatrienoic acid
type: Class
formula: C17H28O3
inchi: InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5+,8-6+,14-11+
inchikey: KUKJHGXXZWHSBG-GMPNNLDHSA-N
monoisotopicmass: 2.80203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_72783
abbrev: FA 17:3;O

14-hydroxy-heneicosanoic acid
type: Class
formula: C21H42O3
inchi: InChI=1S/C21H42O3/c1-2-3-4-11-14-17-20(22)18-15-12-9-7-5-6-8-10-13-16-19-21(23)24/h20,22H,2-19H2,1H3,(H,23,24)
inchikey: ZMQDZMCVLNKHRX-UHFFFAOYSA-N
monoisotopicmass: 3.42313396E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 21:0;O

15-hydroxy-heneicosanoic acid
type: Class
formula: C21H42O3
inchi: InChI=1S/C21H42O3/c1-2-3-4-14-17-20(22)18-15-12-10-8-6-5-7-9-11-13-16-19-21(23)24/h20,22H,2-19H2,1H3,(H,23,24)
inchikey: QOHOPIAGXYYWBQ-UHFFFAOYSA-N
monoisotopicmass: 3.42313396E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 21:0;O

2-hydroxy-heneicosanoic acid
type: Class
formula: C21H42O3
inchi: InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(23)24/h20,22H,2-19H2,1H3,(H,23,24)
inchikey: DHCJPXKWDPRJAX-UHFFFAOYSA-N
monoisotopicmass: 3.42313396E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_84857
abbrev: FA 21:0;O

13-hydroxy-docosanoic acid
type: Class
formula: C22H44O3
inchi: InChI=1S/C22H44O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
inchikey: BYCZEMFWXYCUSJ-UHFFFAOYSA-N
monoisotopicmass: 3.56329046E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/104
equivalent class: CHEBI_17314
abbrev: FA 22:0;O

13,14-dihydroxy-docosanoic acid
type: Class
formula: C22H44O4
inchi: InChI=1S/C22H44O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)
inchikey: KXWWULNBUIUDOT-UHFFFAOYSA-N
monoisotopicmass: 3.72323961E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/104
equivalent class: CHEBI_188210
abbrev: FA 22:0;O2

2-hydroxy-tricosanoic acid
type: Class
formula: C23H46O3
inchikey: JZWLIRVAYJRWLN-UHFFFAOYSA-N
monoisotopicmass: 3.70344696E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_84858
abbrev: FA 23:0;O

24-hydroxy-tetracosanoic acid
type: Class
formula: C24H48O3
inchikey: OVBKVWSHXDCSTK-UHFFFAOYSA-N
monoisotopicmass: 3.84360346E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_76930
equivalent class: SLM_000389377
abbrev: FA 24:0;O

3-hydroxy-tetracosanoic acid
type: Class
formula: C24H48O3
inchikey: DVDLWGAAEYKXSB-UHFFFAOYSA-N
monoisotopicmass: 3.84360346E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_52349
abbrev: FA 24:0;O

24-hydroxy-10Z-tetracosenoic acid
type: Class
formula: C24H46O3
inchikey: VQZGIEKNJUIUHV-XQRVVYSFSA-N
monoisotopicmass: 3.82344696E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_183577
abbrev: FA 24:1;O

2-hydroxy-15Z-tetracosenoic acid
type: Class
formula: C24H46O3
inchikey: UFOOFOUFKSIFCD-KTKRTIGZSA-N
monoisotopicmass: 3.82344696E2
label: Hydroxynervonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_85341
abbrev: FA 24:1;O

15-hydroxy-pentacosanoic acid
type: Class
formula: C25H50O3
inchi: InChI=1S/C25H50O3/c1-2-3-4-5-6-12-15-18-21-24(26)22-19-16-13-10-8-7-9-11-14-17-20-23-25(27)28/h24,26H,2-23H2,1H3,(H,27,28)
inchikey: JIUVLHYELZYWJO-UHFFFAOYSA-N
monoisotopicmass: 3.98375996E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165402
abbrev: FA 25:0;O

2-hydroxy-hexacosanoic acid
type: Class
formula: C26H52O3
inchikey: IFYDZTDBJZWEPK-UHFFFAOYSA-N
monoisotopicmass: 4.12391646E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_76986
equivalent class: SLM_000000832
abbrev: FA 26:0;O

26-hydroxy-hexacosanoic acid
type: Class
formula: C26H52O3
inchikey: GGDUSUKUCOFETL-UHFFFAOYSA-N
monoisotopicmass: 4.12391646E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_76325
equivalent class: SLM_000389364
abbrev: FA 26:0;O

28-hydroxy-octacosanoic acid
type: Class
formula: C28H56O3
inchikey: DQDKWDYKDPDWMY-UHFFFAOYSA-N
monoisotopicmass: 4.40422946E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_84863
abbrev: FA 28:0;O

30-hydroxy-triacontanoic acid
type: Class
formula: C30H60O3
inchikey: IRPZBVZGZKVXHG-UHFFFAOYSA-N
monoisotopicmass: 4.68454246E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_76220
equivalent class: SLM_000000548
abbrev: FA 30:0;O

6-hydroxy-heptanoic acid
type: Class
formula: C7H14O3
inchi: InChI=1S/C7H14O3/c1-6(8)4-2-3-5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
inchikey: UBIZMIFHVVCVEJ-UHFFFAOYSA-N
monoisotopicmass: 1.46094295E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_78774
abbrev: FA 7:0;O

4-hydroxy-octanoic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-2-3-4-7(9)5-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
inchikey: ZRNOVONGMRDZEL-UHFFFAOYSA-N
monoisotopicmass: 1.60109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180040
abbrev: FA 8:0;O

5-hydroxy-octanoic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-2-4-7(9)5-3-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
inchikey: LAWNVEFFZXVKAN-UHFFFAOYSA-N
monoisotopicmass: 1.60109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180039
abbrev: FA 8:0;O

6,8-dihydroxy-octanoic acid
type: Class
formula: C8H16O4
inchi: InChI=1S/C8H16O4/c9-6-5-7(10)3-1-2-4-8(11)12/h7,9-10H,1-6H2,(H,11,12)
inchikey: LJWTVHKBGBUURN-UHFFFAOYSA-N
monoisotopicmass: 1.7610486E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165413
abbrev: FA 8:0;O2

7-hydroxy-octanoic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
inchikey: OFCMTSZRXXFMBQ-UHFFFAOYSA-N
monoisotopicmass: 1.60109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 8:0;O

6-hydroxy-nonanoic acid
type: Class
formula: C9H18O3
inchi: InChI=1S/C9H18O3/c1-2-5-8(10)6-3-4-7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
inchikey: USHAAPGWFOVBJE-UHFFFAOYSA-N
monoisotopicmass: 1.74125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180199
abbrev: FA 9:0;O

8-hydroxy-nonanoic acid
type: Class
formula: C9H18O3
inchi: InChI=1S/C9H18O3/c1-8(10)6-4-2-3-5-7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
inchikey: ZQGUXJLCOPSLHD-UHFFFAOYSA-N
monoisotopicmass: 1.74125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180198
abbrev: FA 9:0;O

9-hydroxy-5Z-nonenoic acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h1-2,10H,3-8H2,(H,11,12)/b2-1-
inchikey: WPQRIXDVEGLWLV-UPHRSURJSA-N
monoisotopicmass: 1.72109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165419
abbrev: FA 9:1;O

2,10-dihydroxy-4,6,8-decatriynoic acid
type: Class
formula: C10H8O4
inchi: InChI=1S/C10H8O4/c11-8-6-4-2-1-3-5-7-9(12)10(13)14/h9,11-12H,7-8H2,(H,13,14)
inchikey: RPSSCYORFZCANO-UHFFFAOYSA-N
monoisotopicmass: 1.9204226E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 10:6;O2

6,7-dihydroxy-4-oxo-2-heptenoic acid
type: Class
formula: C7H10O5
inchi: InChI=1S/C7H10O5/c8-4-6(10)3-5(9)1-2-7(11)12/h1-2,6,8,10H,3-4H2,(H,11,12)/b2-1+
inchikey: HBKNKDDAXCBQRH-OWOJBTEDSA-N
monoisotopicmass: 1.74052825E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180161
abbrev: FA 7:2;O3

3R-hydroxy-butanoic acid
type: Class
formula: C4H8O3
inchi: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
inchikey: WHBMMWSBFZVSSR-GSVOUGTGSA-N
monoisotopicmass: 1.04047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_17066
abbrev: FA 4:0;O

2S-hydroxy-decanoic acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
inchikey: GHPVDCPCKSNJDR-VIFPVBQESA-N
monoisotopicmass: 1.88141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179163
abbrev: FA 10:0;O

3R-hydroxy-decanoic acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m1/s1
inchikey: FYSSBMZUBSBFJL-SECBINFHSA-N
monoisotopicmass: 1.88141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_171760
abbrev: FA 10:0;O

3S-hydroxy-decanoic acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
inchikey: FYSSBMZUBSBFJL-VIFPVBQESA-N
monoisotopicmass: 1.88141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_37371
abbrev: FA 10:0;O

9R-hydroxy-decanoic acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m1/s1
inchikey: UOQXHXSPGSKEGI-SECBINFHSA-N
monoisotopicmass: 1.88141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_78951
abbrev: FA 10:0;O

9S-hydroxy-decanoic acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
inchikey: UOQXHXSPGSKEGI-VIFPVBQESA-N
monoisotopicmass: 1.88141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179162
abbrev: FA 10:0;O

9R-hydroxy-2E-decenoic acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8-9,11H,2-5,7H2,1H3,(H,12,13)/b8-6+/t9-/m1/s1
inchikey: DZBLNYYGAKHAOJ-BNICOGTQSA-N
monoisotopicmass: 1.86125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_78853
abbrev: FA 10:1;O

9S-hydroxy-2E-decenoic acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8-9,11H,2-5,7H2,1H3,(H,12,13)/b8-6+/t9-/m0/s1
inchikey: DZBLNYYGAKHAOJ-ORZBULNSSA-N
monoisotopicmass: 1.86125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180142
abbrev: FA 10:1;O

3R-hydroxy-dodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
inchikey: MUCMKTPAZLSKTL-LLVKDONJSA-N
monoisotopicmass: 2.16172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_43197
abbrev: FA 12:0;O

3S-hydroxy-dodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m0/s1
inchikey: MUCMKTPAZLSKTL-NSHDSACASA-N
monoisotopicmass: 2.16172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_36210
abbrev: FA 12:0;O

11R-hydroxy-dodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
inchikey: KQGAHNAFXMVSGY-LLVKDONJSA-N
monoisotopicmass: 2.16172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_78978
equivalent class: SLM_000389678
abbrev: FA 12:0;O

3R-hydroxy-5Z-dodecenoic acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h7-8,11,13H,2-6,9-10H2,1H3,(H,14,15)/b8-7-/t11-/m1/s1
inchikey: GZUALOWLHSCENG-SKVAFPRGSA-N
monoisotopicmass: 2.14156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165407
abbrev: FA 12:1;O

3R-hydroxy-eicosanoic acid
type: Class
formula: C20H40O3
inchi: InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)/t19-/m1/s1
inchikey: XXKHCFPQYSMGCI-LJQANCHMSA-N
monoisotopicmass: 3.28297746E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 20:0;O

14R-hydroxy-11E-eicosenoic acid
type: Class
formula: C20H38O3
inchi: InChI=1S/C20H38O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h11,14,19,21H,2-10,12-13,15-18H2,1H3,(H,22,23)/b14-11+/t19-/m1/s1
inchikey: OONXYOAWMIVMCI-FIIODCPWSA-N
monoisotopicmass: 3.26282096E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187103
abbrev: FA 20:1;O

14R-hydroxy-11Z-eicosenoic acid
type: Class
formula: C20H38O3
inchi: InChI=1S/C20H38O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h11,14,19,21H,2-10,12-13,15-18H2,1H3,(H,22,23)/b14-11-/t19-/m1/s1
inchikey: OONXYOAWMIVMCI-KWRJMZDGSA-N
monoisotopicmass: 3.26282096E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 20:1;O

7-hydroxy-10E,16-heptadecadien-8-ynoic acid
type: Class
formula: C17H26O3
inchi: InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-10-13-16(18)14-11-9-12-15-17(19)20/h2,6-7,16,18H,1,3-5,8-9,11-12,14-15H2,(H,19,20)/b7-6+
inchikey: SKEXYIDHVDOQQP-VOTSOKGWSA-N
monoisotopicmass: 2.78188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_186934
abbrev: FA 17:4;O

7-hydroxy-10-heptadecen-8-ynoic acid
type: Class
formula: C17H30O3
inchi: InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-10-13-16(18)14-11-9-12-15-17(19)20/h16,18H,2-9,11-12,14-15H2,1H3,(H,19,20)
inchikey: TWMRPCHSQJOLLE-UHFFFAOYSA-N
monoisotopicmass: 2.82219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_193383
abbrev: FA 17:2;O

6R-hydroxy-heptanoic acid
type: Class
formula: C7H14O3
inchi: InChI=1S/C7H14O3/c1-6(8)4-2-3-5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m1/s1
inchikey: UBIZMIFHVVCVEJ-ZCFIWIBFSA-N
monoisotopicmass: 1.46094295E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_78775
abbrev: FA 7:0;O

7-hydroxy-5-heptynoic acid
type: Class
formula: C7H10O3
inchi: InChI=1S/C7H10O3/c8-6-4-2-1-3-5-7(9)10/h8H,1,3,5-6H2,(H,9,10)
inchikey: YVZAOBOYHMHYKV-UHFFFAOYSA-N
monoisotopicmass: 1.42062995E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165415
abbrev: FA 7:2;O

2R-hydroxy-hexacosanoic acid
type: Class
formula: C26H52O3
inchikey: IFYDZTDBJZWEPK-RUZDIDTESA-N
monoisotopicmass: 4.12391646E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_76218
equivalent class: SLM_000000547
abbrev: FA 26:0;O

5R-hydroxy-hexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m1/s1
inchikey: GIEJMPHHFWMLHG-OAHLLOKOSA-N
monoisotopicmass: 2.72235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_196266
abbrev: FA 16:0;O

5S-hydroxy-hexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
inchikey: GIEJMPHHFWMLHG-HNNXBMFYSA-N
monoisotopicmass: 2.72235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_196265
abbrev: FA 16:0;O

8S-hydroxy-hexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
inchikey: KMEKMXBMYZGGDT-HNNXBMFYSA-N
monoisotopicmass: 2.72235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187997
abbrev: FA 16:0;O

11S-hydroxy-hexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
inchikey: YNQGVRJFSHTULP-HNNXBMFYSA-N
monoisotopicmass: 2.72235146E2
label: Jalapinolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_75785
abbrev: FA 16:0;O

14S-hydroxy-hexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
inchikey: KBDZCYDPGRYCRM-HNNXBMFYSA-N
monoisotopicmass: 2.72235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_186645
abbrev: FA 16:0;O

(+)-15S-hydroxy-hexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
inchikey: WQPQDBIUAFINBH-HNNXBMFYSA-N
monoisotopicmass: 2.72235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_186690
abbrev: FA 16:0;O

(+)-12-hydroxy-9Z-hexadecenoic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-2-3-12-15(17)13-10-8-6-4-5-7-9-11-14-16(18)19/h8,10,15,17H,2-7,9,11-14H2,1H3,(H,18,19)/b10-8-
inchikey: JPBAMKISCJZBKR-NTMALXAHSA-N
monoisotopicmass: 2.70219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_186694
abbrev: FA 16:1;O

16-hydroxy-5-hexadecenoic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h6,8,17H,1-5,7,9-15H2,(H,18,19)/b8-6+
inchikey: PRAQPIJZMJJKAO-SOFGYWHQSA-N
monoisotopicmass: 2.70219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187062
abbrev: FA 16:1;O

16-hydroxy-6-hexadecenoic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h4,6,17H,1-3,5,7-15H2,(H,18,19)/b6-4+
inchikey: UEGSWNJQTIRVPG-GQCTYLIASA-N
monoisotopicmass: 2.70219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187130
abbrev: FA 16:1;O

6-hydroxy-2-hexynoic acid
type: Class
formula: C6H8O3
inchi: InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9/h7H,1,3,5H2,(H,8,9)
inchikey: FMIGBDLVHMCZSR-UHFFFAOYSA-N
monoisotopicmass: 1.28047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165414
abbrev: FA 6:2;O

8R-hydroxy-nonanoic acid
type: Class
formula: C9H18O3
inchi: InChI=1S/C9H18O3/c1-8(10)6-4-2-3-5-7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m1/s1
inchikey: ZQGUXJLCOPSLHD-MRVPVSSYSA-N
monoisotopicmass: 1.74125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_78839
abbrev: FA 9:0;O

8-hydroxy-11E-octadecen-9-ynoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h7-8,17,19H,2-6,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-7+
inchikey: OTAWOAZBNLPFQR-BQYQJAHWSA-N
monoisotopicmass: 2.94219496E2
label: Agonandric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_193262
abbrev: FA 18:3;O

2R-hydroxy-octanoic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
inchikey: JKRDADVRIYVCCY-SSDOTTSWSA-N
monoisotopicmass: 1.60109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_173697
abbrev: FA 8:0;O

3R-hydroxy-octanoic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
inchikey: NDPLAKGOSZHTPH-SSDOTTSWSA-N
monoisotopicmass: 1.60109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_37099
abbrev: FA 8:0;O

4R-hydroxy-octanoic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-2-3-4-7(9)5-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
inchikey: ZRNOVONGMRDZEL-SSDOTTSWSA-N
monoisotopicmass: 1.60109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180042
abbrev: FA 8:0;O

7R-hydroxy-octanoic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
inchikey: OFCMTSZRXXFMBQ-SSDOTTSWSA-N
monoisotopicmass: 1.60109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_78949
abbrev: FA 8:0;O

7S-hydroxy-octanoic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
inchikey: OFCMTSZRXXFMBQ-ZETCQYMHSA-N
monoisotopicmass: 1.60109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180041
abbrev: FA 8:0;O

2R-hydroxy-pentadecanoic acid
type: Class
formula: C15H30O3
inchi: InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14,16H,2-13H2,1H3,(H,17,18)/t14-/m1/s1
inchikey: NKASEPJANRVKDD-CQSZACIVSA-N
monoisotopicmass: 2.58219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_196494
abbrev: FA 15:0;O

3R-hydroxy-pentadecanoic acid
type: Class
formula: C15H30O3
inchi: InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)/t14-/m1/s1
inchikey: ATMSEJBABXCWDW-CQSZACIVSA-N
monoisotopicmass: 2.58219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_137762
abbrev: FA 15:0;O

3S-hydroxy-pentadecanoic acid
type: Class
formula: C15H30O3
inchi: InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)/t14-/m0/s1
inchikey: ATMSEJBABXCWDW-AWEZNQCLSA-N
monoisotopicmass: 2.58219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_186044
abbrev: FA 15:0;O

2R-hydroxy-tetracosanoic acid
type: Class
formula: C24H48O3
inchikey: MSUOLNSQHLHDAS-HSZRJFAPSA-N
monoisotopicmass: 3.84360346E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_76036
equivalent class: SLM_000389303
abbrev: FA 24:0;O

3R-hydroxy-tetradecanoic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1
inchikey: ATRNZOYKSNPPBF-CYBMUJFWSA-N
monoisotopicmass: 2.44203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_42539
equivalent class: SLM_000485323
abbrev: FA 14:0;O

3S-hydroxy-tetradecanoic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m0/s1
inchikey: ATRNZOYKSNPPBF-ZDUSSCGKSA-N
monoisotopicmass: 2.44203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_37374
abbrev: FA 14:0;O

6R-hydroxy-tetradecanoic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1
inchikey: XQMCCPUZOKUEHG-CYBMUJFWSA-N
monoisotopicmass: 2.44203846E2
label: Butolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180373
abbrev: FA 14:0;O

11S-hydroxy-tetradecanoic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c1-2-10-13(15)11-8-6-4-3-5-7-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m0/s1
inchikey: DMCZWEUMVOFXBT-ZDUSSCGKSA-N
monoisotopicmass: 2.44203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_177098
abbrev: FA 14:0;O

3R-hydroxy-tridecanoic acid
type: Class
formula: C13H26O3
inchi: InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-12(14)11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)/t12-/m1/s1
inchikey: CWSNHZHHWHLJIM-GFCCVEGCSA-N
monoisotopicmass: 2.30188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180394
abbrev: FA 13:0;O

3S-hydroxy-undecanoic acid
type: Class
formula: C11H22O3
inchi: InChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
inchikey: FARPMBPKLYEDIL-JTQLQIEISA-N
monoisotopicmass: 2.02156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179317
abbrev: FA 11:0;O

2R-hydroxy-10-undecenoic acid
type: Class
formula: C11H20O3
inchi: InChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h2,10,12H,1,3-9H2,(H,13,14)/t10-/m1/s1
inchikey: NOAFRVYUFCNMLG-SNVBAGLBSA-N
monoisotopicmass: 2.00141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180334
abbrev: FA 11:1;O

2S-hydroxy-10-undecenoic acid
type: Class
formula: C11H20O3
inchi: InChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h2,10,12H,1,3-9H2,(H,13,14)/t10-/m0/s1
inchikey: NOAFRVYUFCNMLG-JTQLQIEISA-N
monoisotopicmass: 2.00141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180333
abbrev: FA 11:1;O

9,16-dihydroxy-hexadecanoic acid
type: Class
formula: C16H32O4
inchi: InChI=1S/C16H32O4/c17-14-10-6-2-4-8-12-15(18)11-7-3-1-5-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)
inchikey: XSIHTLJPWOWWPE-UHFFFAOYSA-N
monoisotopicmass: 2.88230061E2
label: 9,16-dihydroxy-palmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179896
abbrev: FA 16:0;O2

10,16-dihydroxy-hexadecanoic acid
type: Class
formula: C16H32O4
inchi: InChI=1S/C16H32O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)
inchikey: VJZBXAQGWLMYMS-UHFFFAOYSA-N
monoisotopicmass: 2.88230061E2
label: 10,16-dihydroxy-palmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI 692
abbrev: FA 16:0;O2

2S-Hydroxybutanoic acid
type: Class
formula: C4H8O3
inchi: InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
inchikey: AFENDNXGAFYKQO-VKHMYHEASA-N
monoisotopicmass: 1.04047345E2
label: 2S-hydroxy-butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_50613
abbrev: FA 4:0;O

2-oxo-4-hydroxy-hexanoic acid
type: Class
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c1-2-4(7)3-5(8)6(9)10/h4,7H,2-3H2,1H3,(H,9,10)
inchikey: ALFQPWXBAWHVDP-UHFFFAOYSA-N
monoisotopicmass: 1.4605791E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_27530
abbrev: FA 6:1;O2

3R-methyl-3,5-dihydroxy-pentanoic acid
type: Class
formula: C6H12O4
inchi: InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1
inchikey: KJTLQQUUPVSXIM-ZCFIWIBFSA-N
monoisotopicmass: 1.4807356E2
label: Mevalonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_17710
equivalent class: SLM_000000300
abbrev: FA 6:0;O2

12-Hydroxyhexacosanoic acid
type: Class
formula: C26H52O3
inchi: InChI=1S/C26H52O3/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25(27)23-20-17-14-11-12-15-18-21-24-26(28)29/h25,27H,2-24H2,1H3,(H,28,29)
inchikey: JTFQZKDWOBAOME-UHFFFAOYSA-N
monoisotopicmass: 4.12391646E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 26:0;O

2R-hydroxydodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
inchikey: YDZIJQXINJLRLL-LLVKDONJSA-N
monoisotopicmass: 2.16172545E2
label: 2R-hydroxylauric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_36212
abbrev: FA 12:0;O

2S-hydroxydodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m0/s1
inchikey: YDZIJQXINJLRLL-NSHDSACASA-N
monoisotopicmass: 2.16172545E2
label: 2S-hydroxylauric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_36213
abbrev: FA 12:0;O

4S-hydroxydodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m0/s1
inchikey: UZNDHCZORMBARB-NSHDSACASA-N
monoisotopicmass: 2.16172545E2
label: 4S-hydroxylauric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_36215
abbrev: FA 12:0;O

4R-hydroxydodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
inchikey: UZNDHCZORMBARB-LLVKDONJSA-N
monoisotopicmass: 2.16172545E2
label: 4R-hydroxylauric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_36216
abbrev: FA 12:0;O

3S-hydroxyhexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
inchikey: CBWALJHXHCJYTE-HNNXBMFYSA-N
monoisotopicmass: 2.72235146E2
label: 3S-hydroxypalmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_37250
abbrev: FA 16:0;O

3R-hydroxyhexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m1/s1
inchikey: CBWALJHXHCJYTE-OAHLLOKOSA-N
monoisotopicmass: 2.72235146E2
label: 3R-hydroxypalmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_38247
abbrev: FA 16:0;O

oct-1-en-3S-ol
type: Class
formula: C8H16O
inchi: InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1
inchikey: VSMOENVRRABVKN-MRVPVSSYSA-N
monoisotopicmass: 1.28120115E2
subclass of: https://www.lipidmaps.org/rdf/category/105
equivalent class: CHEBI_46735
abbrev: FOH 8:1

2-hydroxy-3-methylhexadecanoic acid
type: Class
formula: C17H34O3
inchi: InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(18)17(19)20/h15-16,18H,3-14H2,1-2H3,(H,19,20)
inchikey: HNRNFABXNZGOFG-UHFFFAOYSA-N
monoisotopicmass: 2.86250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_49175
abbrev: FA 17:0;O

6-hydroxy-3,7-dimethyloctanoic acid
type: Class
formula: C10H20O3
inchi: InChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)
inchikey: IQBGVZDRJBTLDN-UHFFFAOYSA-N
monoisotopicmass: 1.88141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_50451
abbrev: FA 10:0;O

6-hydroxy-3-(prop-1-en-2-yl)heptanoic acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)
inchikey: NQYDFAGFKCSWGI-UHFFFAOYSA-N
monoisotopicmass: 1.86125595E2
label: 6-hydroxy-3-isopropenylheptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_50452
abbrev: FA 10:1;O

(S)-3-hydroxyhexacosanoic acid
type: Class
formula: C26H52O3
inchikey: SEVRYJMBCDYSHN-VWLOTQADSA-N
monoisotopicmass: 4.12391646E2
label: 3S-hydroxyhexacosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_52423
abbrev: FA 26:0;O

8-Hydroxy-4,8-dimethyl-4E,9-decadienoic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c1-4-12(3,15)9-5-6-10(2)7-8-11(13)14/h4,6,15H,1,5,7-9H2,2-3H3,(H,13,14)/b10-6+
inchikey: ZNKKFXWQFBPBCX-UXBLZVDNSA-N
monoisotopicmass: 2.12141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_168951
abbrev: FA 12:2;O

5R-hydroxy-hexanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
inchikey: YDCRNMJQROAWFT-RXMQYKEDSA-N
monoisotopicmass: 1.32078645E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_78842
abbrev: FA 6:0;O

3R-hydroxy-hexanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
inchikey: HPMGFDVTYHWBAG-RXMQYKEDSA-N
monoisotopicmass: 1.32078645E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_173535
abbrev: FA 6:0;O

3S,4-dihydroxy-butanoic acid
type: Class
formula: C4H8O4
inchi: InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8)/t3-/m0/s1
inchikey: DZAIOXUZHHTJKN-VKHMYHEASA-N
monoisotopicmass: 1.2004226E2
label: 3S,4-dihydroxy-butyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_137814
abbrev: FA 4:0;O2

2-hydroxy-3-methyl-pentanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
inchikey: RILPIWOPNGRASR-RFZPGFLSSA-N
monoisotopicmass: 1.32078645E2
label: 2R-hydroxy-3R-methyl-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_89228
abbrev: FA 6:0;O

2-hydroxy-4-methyl-pentanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
inchikey: LVRFTAZAXQPQHI-UHFFFAOYSA-N
monoisotopicmass: 1.32078645E2
label: Leucinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_59783
abbrev: FA 6:0;O

2R-methyl-3-hydroxy-propanoic acid
type: Class
formula: C4H8O3
inchi: InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
inchikey: DBXBTMSZEOQQDU-GSVOUGTGSA-N
monoisotopicmass: 1.04047345E2
label: 3R-hydroxy-isobutyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_195651
abbrev: FA 4:0;O

2S-acetyl-2-hydroxy-butanoic acid
type: Class
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1
inchikey: VUQLHQFKACOHNZ-LURJTMIESA-N
monoisotopicmass: 1.4605791E2
label: 2S-ethyl-2-hydroxy-3-oxobutanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_27681
abbrev: FA 6:1;O2

2,3-dihydroxy-pentanoic acid
type: Class
formula: C5H10O4
inchi: InChI=1S/C5H10O4/c1-2-3(6)4(7)5(8)9/h3-4,6-7H,2H2,1H3,(H,8,9)
inchikey: CJXCLBPFKGZXJP-UHFFFAOYSA-N
monoisotopicmass: 1.3405791E2
label: 2,3-dihydroxy-valeric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165403
abbrev: FA 5:0;O2

2,4-dihydroxy-butanoic acid
type: Class
formula: C4H8O4
inchi: InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)
inchikey: UFYGCFHQAXXBCF-UHFFFAOYSA-N
monoisotopicmass: 1.2004226E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_86348
abbrev: FA 4:0;O2

2,3,5-trihydroxy-pentanoic acid
type: Class
formula: C5H10O5
inchi: InChI=1S/C5H10O5/c6-2-1-3(7)4(8)5(9)10/h3-4,6-8H,1-2H2,(H,9,10)
inchikey: SJXSBTISVFRFLJ-UHFFFAOYSA-N
monoisotopicmass: 1.50052825E2
label: 2-deoxy-ribonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179832
abbrev: FA 5:0;O3

2-ethyl-2-hydroxy-butanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
inchikey: LXVSANCQXSSLPA-UHFFFAOYSA-N
monoisotopicmass: 1.32078645E2
label: 2-ethyl-2-hydroxy-butyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165404
abbrev: FA 6:0;O

2-ethyl-3-hydroxy-propionic acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
inchikey: ZMZQVAUJTDKQGE-UHFFFAOYSA-N
monoisotopicmass: 1.18062995E2
label: 2-ethyl-hydracrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_82956
abbrev: FA 5:0;O

2-hydroxy-2-methyl-butanoic acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)
inchikey: MBIQENSCDNJOIY-UHFFFAOYSA-N
monoisotopicmass: 1.18062995E2
label: 2-hydroxy-2-methyl-butyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_68454
abbrev: FA 5:0;O

2-hydroxy-3-methyl-butyric acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1
inchikey: NGEWQZIDQIYUNV-BYPYZUCNSA-N
monoisotopicmass: 1.18062995E2
label: 2S-hydroxy-3-methyl-butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_60631
abbrev: FA 5:0;O

2-methyl-3-hydroxy-2-butanoic acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
inchikey: VEXDRERIMPLZLU-UHFFFAOYSA-N
monoisotopicmass: 1.18062995E2
label: 2-methyl-3-hydroxybutyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_37051
abbrev: FA 5:0;O

3-hydroxy-2-methyl-[R-(R,S)]-butanoic acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4+/m1/s1
inchikey: VEXDRERIMPLZLU-DMTCNVIQSA-N
monoisotopicmass: 1.18062995E2
label: 3R-hydroxy-2S-methyl-butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_173461
abbrev: FA 5:0;O

3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4-/m0/s1
inchikey: VEXDRERIMPLZLU-IMJSIDKUSA-N
monoisotopicmass: 1.18062995E2
label: 3S-hydroxy-2S-methyl-butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_37052
abbrev: FA 5:0;O

3-hydroxy-6-methyl-hexanoic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-6(2)3-4-7(9)5-8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11)
inchikey: BVAXVQDOCBTYID-UHFFFAOYSA-N
monoisotopicmass: 1.60109945E2
label: 3-hydroxy-isoheptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_180043
abbrev: FA 8:0;O

3-hydroxy-3-methyl-butanoic acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
inchikey: AXFYFNCPONWUHW-UHFFFAOYSA-N
monoisotopicmass: 1.18062995E2
label: 3-hydroxy-isovaleric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_37084
abbrev: FA 5:0;O

2,3-dihydroxy-butanoic acid
type: Class
formula: C4H8O4
inchi: InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)
inchikey: LOUGYXZSURQALL-UHFFFAOYSA-N
monoisotopicmass: 1.2004226E2
label: 4-deoxy-erythronic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_86347
abbrev: FA 4:0;O2

4-hydroxy-2E-butenoic acid
type: Class
formula: C4H6O3
inchi: InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/b2-1+
inchikey: RMQJECWPWQIIPW-OWOJBTEDSA-N
monoisotopicmass: 1.02031695E2
label: 4-hydroxy-crotonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179637
abbrev: FA 4:1;O

3-methyl-4-hydroxy-butanoic acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-4(3-6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
inchikey: ZGYGEPZZMAXSKH-UHFFFAOYSA-N
monoisotopicmass: 1.18062995E2
label: 4-hydroxy-isovaleric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_90005
abbrev: FA 5:0;O

2,3-dihydroxy-2-methyl-propanoic acid
type: Class
formula: C4H8O4
inchi: InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)
inchikey: DGADNPLBVRLJGD-UHFFFAOYSA-N
monoisotopicmass: 1.2004226E2
label: a,b-dihydroxy-isobutyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_36532
abbrev: FA 4:0;O2

2R-hydroxy-4-methyl-pentanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1
inchikey: LVRFTAZAXQPQHI-RXMQYKEDSA-N
monoisotopicmass: 1.32078645E2
label: D-Leucic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_55534
abbrev: FA 6:0;O

2S-hydroxy-4-methyl-pentanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
inchikey: LVRFTAZAXQPQHI-YFKPBYRVSA-N
monoisotopicmass: 1.32078645E2
label: hydroxy-isocaproic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_44510
abbrev: FA 6:0;O

7R-hydroxy-hexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m1/s1
inchikey: PHFQJBDKBCFMOS-OAHLLOKOSA-N
monoisotopicmass: 2.72235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187327
abbrev: FA 16:0;O

3R-methyl-3-hydroxypentanoic acid 5-phosphate
type: Class
formula: C6H13O7P
inchi: InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1
inchikey: OKZYCXHTTZZYSK-ZCFIWIBFSA-N
monoisotopicmass: 2.28039891E2
label: Mevalonate-P
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_17436
equivalent class: SLM_000000301

3R-methyl-3-hydroxypentanoic acid 5-diphosphate
type: Class
formula: C6H14O10P2
inchi: InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m1/s1
inchikey: SIGQQUBJQXSAMW-ZCFIWIBFSA-N
monoisotopicmass: 3.08006222E2
label: Mevalonate-PP
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_15899
equivalent class: SLM_000000302

2-hydroxy-2-methyl-propanoic acid
type: Class
formula: C4H8O3
inchi: InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
inchikey: BWLBGMIXKSTLSX-UHFFFAOYSA-N
monoisotopicmass: 1.04047345E2
label: alpha-hydroxy-isobutyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_50129
abbrev: FA 4:0;O

11,13-dihydroxy-9E-tetracosenoic acid
type: Class
formula: C24H46O4
inchi: InChI=1S/C24H46O4/c1-2-3-4-5-6-7-9-12-15-18-22(25)21-23(26)19-16-13-10-8-11-14-17-20-24(27)28/h16,19,22-23,25-26H,2-15,17-18,20-21H2,1H3,(H,27,28)/b19-16+
inchikey: AKVZFALHMAASOY-KNTRCKAVSA-N
monoisotopicmass: 3.98339611E2
label: Axillarenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187234
abbrev: FA 24:1;O2

3-hydroxy-11Z-octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h7-8,17,19H,2-6,9-16H2,1H3,(H,20,21)/b8-7-
inchikey: VZZZAISMRNOEFX-FPLPWBNLSA-N
monoisotopicmass: 2.98250796E2
label: 3-hydroxy-vaccenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_179247
abbrev: FA 18:1;O

2S-hydroxyhexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
inchikey: JGHSBPIZNUXPLA-HNNXBMFYSA-N
monoisotopicmass: 2.72235146E2
label: 2S-hydroxypalmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_75977
equivalent class: SLM_000000520
abbrev: FA 16:0;O

2R-hydroxyhexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m1/s1
inchikey: JGHSBPIZNUXPLA-OAHLLOKOSA-N
monoisotopicmass: 2.72235146E2
label: 2R-hydroxypalmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_75972
equivalent class: SLM_000000519
abbrev: FA 16:0;O

3R,7R-diacetoxy-docosanoic acid
type: Class
formula: C26H48O6
inchi: InChI=1S/C26H48O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-24(31-22(2)27)19-17-20-25(21-26(29)30)32-23(3)28/h24-25H,4-21H2,1-3H3,(H,29,30)/t24-,25-/m1/s1
inchikey: ZHSKWVYVCJTAJW-JWQCQUIFSA-N
monoisotopicmass: 4.56345091E2
label: Byrsonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_183612
abbrev: FA 26:2;O4

3R,7R-dihydroxy-docosanoic acid
type: Class
formula: C22H44O4
inchi: InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20(23)17-15-18-21(24)19-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)/t20-,21-/m1/s1
inchikey: FCJIICMIGKVTBE-NHCUHLMSSA-N
monoisotopicmass: 3.72323961E2
label: Tetrapedic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/104
abbrev: FA 22:0;O2

3R,7R-dihydroxy-eicosanoic acid
type: Class
formula: C20H40O4
inchi: InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-18(21)15-13-16-19(22)17-20(23)24/h18-19,21-22H,2-17H2,1H3,(H,23,24)/t18-,19-/m1/s1
inchikey: WKTAZNAFUIUYKK-RTBURBONSA-N
monoisotopicmass: 3.44292661E2
label: Tetrapedic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 20:0;O2

3-hydroxypalmitic acid methyl ester
type: Class
formula: C17H34O3
inchi: InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3
inchikey: YBTWUESFQWFDMR-UHFFFAOYSA-N
monoisotopicmass: 2.86250796E2
label: Methyl 3-hydroxyhexadecanoate
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_29479
abbrev: FA 17:0;O

9,10-dihydroxy-2-decenoic acid
type: Class
formula: C10H18O4
inchi: InChI=1S/C10H18O4/c11-8-9(12)6-4-2-1-3-5-7-10(13)14/h5,7,9,11-12H,1-4,6,8H2,(H,13,14)/b7-5+
inchikey: LJVFDEUMLMNPKS-FNORWQNLSA-N
monoisotopicmass: 2.0212051E2
label: 9,10-dihydroxy-2E-decenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_183568
abbrev: FA 10:1;O2

3,10-dihydroxydecanoic acid
type: Class
formula: C10H20O4
inchi: InChI=1S/C10H20O4/c11-7-5-3-1-2-4-6-9(12)8-10(13)14/h9,11-12H,1-8H2,(H,13,14)
inchikey: WXCLDXYQUQDNDB-UHFFFAOYSA-N
monoisotopicmass: 2.0413616E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_186714
abbrev: FA 10:0;O2

10-hydroxy-2E-decenoic acid O-dihydrogen phosphate
type: Class
formula: C10H19O6P
inchi: InChI=1S/C10H19O6P/c11-10(12)8-6-4-2-1-3-5-7-9-16-17(13,14)15/h6,8H,1-5,7,9H2,(H,11,12)(H2,13,14,15)/b8-6+
inchikey: NAUNHDNEXRZFSD-SOFGYWHQSA-N
monoisotopicmass: 2.66091926E2
label: 10-phospho-2E-decenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105

14-hydroxy-11Z,17Z-eicosadienoic acid
type: Class
formula: C20H36O3
inchi: InChI=1S/C20H36O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h3-4,11,14,19,21H,2,5-10,12-13,15-18H2,1H3,(H,22,23)/b4-3-,14-11-
inchikey: GWEIHUNYMRRZJJ-MOAWTDCJSA-N
monoisotopicmass: 3.24266446E2
label: Auricolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_186663
abbrev: FA 20:2;O

(S)-3-hydroxyhexanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
inchikey: HPMGFDVTYHWBAG-YFKPBYRVSA-N
monoisotopicmass: 1.32078645E2
label: 3S-hydroxyhexanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_37049
abbrev: FA 6:0;O

(S)-3-hydroxyoctanoic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
inchikey: NDPLAKGOSZHTPH-ZETCQYMHSA-N
monoisotopicmass: 1.60109945E2
label: 3S-hydroxyoctanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_37100
abbrev: FA 8:0;O

(S)-3-hydroxystearic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1
inchikey: POMQYTSPMKEQNB-KRWDZBQOSA-N
monoisotopicmass: 3.00266446E2
label: 3S-hydroxyoctadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_50579
abbrev: FA 18:0;O

(S)-4-hydroxy-2-oxohexanoic acid
type: Class
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c1-2-4(7)3-5(8)6(9)10/h4,7H,2-3H2,1H3,(H,9,10)/t4-/m0/s1
inchikey: ALFQPWXBAWHVDP-BYPYZUCNSA-N
monoisotopicmass: 1.4605791E2
label: 4S-hydroxy-2-oxohexanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_73151
abbrev: FA 6:1;O2

(S)-9-Hydroxy-10-undecenoic acid
type: Class
formula: C11H20O3
inchi: InChI=1S/C11H20O3/c1-2-10(12)8-6-4-3-5-7-9-11(13)14/h2,10,12H,1,3-9H2,(H,13,14)/t10-/m1/s1
inchikey: CJUFNYIRKDOQMC-SNVBAGLBSA-N
monoisotopicmass: 2.00141245E2
label: 9S-hydroxy-10-undecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165422
abbrev: FA 11:1;O

11-Hydroxy-9-tridecenoic acid
type: Class
formula: C13H24O3
inchi: InChI=1S/C13H24O3/c1-2-12(14)10-8-6-4-3-5-7-9-11-13(15)16/h8,10,12,14H,2-7,9,11H2,1H3,(H,15,16)/b10-8+
inchikey: NSVPCFNUUARRKL-CSKARUKUSA-N
monoisotopicmass: 2.28172545E2
label: 11-Hydroxy-9E-tridecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165449
abbrev: FA 13:1;O

15-hydroxy-6Z,9Z,12Z,16E,18Z-tetracosapentaenoic acid
type: Class
formula: C24H38O3
inchi: InChI=1S/C24H38O3/c1-2-3-4-5-11-14-17-20-23(25)21-18-15-12-9-7-6-8-10-13-16-19-22-24(26)27/h7-11,14-15,17-18,20,23,25H,2-6,12-13,16,19,21-22H2,1H3,(H,26,27)/b9-7-,10-8-,14-11-,18-15-,20-17+
inchikey: WCPFNHAOKQUJEV-YQUHDJBSSA-N
monoisotopicmass: 3.74282096E2
label: 15-hydroxy-tetracosa-6,9,12,16,18-pentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_66039
abbrev: FA 24:5;O

(+)-threo-2-Amino-3,4-dihydroxybutanoic acid
type: Class
formula: C4H9NO4
inchi: InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)
inchikey: JBNUARFQOCGDRK-UHFFFAOYSA-N
monoisotopicmass: 1.35053159E2
label: 2-amino-3,4-dihydroxybutanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_168935

(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid
type: Class
formula: C6H13NO3
inchi: InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)
inchikey: OSCCDBFHNMXNME-UHFFFAOYSA-N
monoisotopicmass: 1.47089544E2
label: 2-amino-4-hydroxy-3-methylpentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_172410

(2R,3S)-2-hydroxy-3-methylpentanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
inchikey: RILPIWOPNGRASR-CRCLSJGQSA-N
monoisotopicmass: 1.32078645E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_55536
abbrev: FA 6:0;O

(2R,3S)-2-hydroxybutane-1,2,3-tricarboxylic acid;3-C-carboxy-2,4-dideoxy-2-methyl-D-threo-pentaric acid
type: Class
formula: C7H10O7
inchi: InChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1
inchikey: YNOXCRMFGMSKIJ-WVBDSBKLSA-N
monoisotopicmass: 2.06042655E2
label: (2R,3S)-2-methylcitric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_30836
abbrev: FA 7:2;O5

(2S,3R)-3-hydroxy-2-methylpentanoic acid
type: Class
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
inchikey: NVIHALDXJWGLFD-CRCLSJGQSA-N
monoisotopicmass: 1.32078645E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_55434
abbrev: FA 6:0;O

(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
type: Class
formula: C7H10O7
inchi: InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1
inchikey: HHKPKXCSHMJWCF-WVBDSBKLSA-N
monoisotopicmass: 2.06042655E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_15607
abbrev: FA 7:2;O5

(2S,4S)-Pinnatanine
type: Class
formula: C10H16N2O5
inchi: InChI=1S/C10H16N2O5/c1-2-6(5-13)4-12-9(15)8(14)3-7(11)10(16)17/h2,4,7-8,13-14H,1,3,5,11H2,(H,12,15)(H,16,17)/b6-4+
inchikey: VYDAYIZJJUOQMT-GQCTYLIASA-N
monoisotopicmass: 2.44105923E2
label: 2-amino-4-{[(1E)-2-ethenyl-3-hydroxyprop-1-en-1-yl]carbamoyl}-4-hydroxybutanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_143049

(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid
type: Class
formula: C6H8O6
inchi: InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1
inchikey: IMUGYKFHMJLTOU-WVZVXSGGSA-N
monoisotopicmass: 1.7603209E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_15624
abbrev: FA 6:2;O4

(7Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid
type: Class
formula: C17H28O5
inchi: InChI=1S/C17H28O5/c1-2-9-15(19)16(20)13-12-14(18)10-7-5-3-4-6-8-11-17(21)22/h5,7,15,19H,2-4,6,8-13H2,1H3,(H,21,22)/b7-5-
inchikey: QGFDIKLPPWSQIY-ALCCZGGFSA-N
monoisotopicmass: 3.12193676E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_74250
abbrev: FA 17:3;O3

(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10-/t16-,17+/m0/s1
inchikey: WBZXABQRBWTVNN-JINBKUQRSA-N
monoisotopicmass: 3.14245711E2
label: (Z,7R,8S)-7,8-dihydroxyoctadec-9-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI 448
abbrev: FA 18:1;O2

(2R,3R)-2,3-dihydroxy-3-methylpentanoic acid
type: Class
formula: C6H12O4
inchi: InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1
inchikey: PDGXJDXVGMHUIR-UJURSFKZSA-N
monoisotopicmass: 1.4807356E2
label: (R) 2,3-Dihydroxy-3-methylvalerate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_27512
abbrev: FA 6:0;O2

(2R)-2,3-dihydroxy-3-methylbutanoic acid
type: Class
formula: C5H10O4
inchi: InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1
inchikey: JTEYKUFKXGDTEU-VKHMYHEASA-N
monoisotopicmass: 1.3405791E2
label: (R)-2,3-Dihydroxy-isovalerate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_15684
abbrev: FA 5:0;O2

(2R)-2-ethyl-2-hydroxybutanedioic acid
type: Class
formula: C6H10O5
inchi: InChI=1S/C6H10O5/c1-2-6(11,5(9)10)3-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/t6-/m1/s1
inchikey: YVYGHRNLPUMVBU-ZCFIWIBFSA-N
monoisotopicmass: 1.62052825E2
label: (R)-2-ethylmalic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_15583
abbrev: FA 6:1;O3

(2R)-2-hydroxybutanoic acid
type: Class
formula: C4H8O3
inchi: InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
inchikey: AFENDNXGAFYKQO-GSVOUGTGSA-N
monoisotopicmass: 1.04047345E2
label: (R)-2-hydroxybutyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_50612
abbrev: FA 4:0;O

(2R)-2-hydroxynonanoic acid
type: Class
formula: C9H18O3
inchi: InChI=1S/C9H18O3/c1-2-3-4-5-6-7-8(10)9(11)12/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m1/s1
inchikey: BTJFTHOOADNOOS-MRVPVSSYSA-N
monoisotopicmass: 1.74125595E2
label: (R)-2-hydroxynonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_55538
abbrev: FA 9:0;O

(3R)-3-hydroxy-3-methyl-2-oxopentanoic acid
type: Class
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m1/s1
inchikey: YJVOWRAWFXRESP-ZCFIWIBFSA-N
monoisotopicmass: 1.4605791E2
label: (R)-3-hydroxy-3-methyl-2-oxopentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_34008
abbrev: FA 6:1;O2

(R)-4-Dehydropantoate
type: Class
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h3-4,8H,1-2H3,(H,9,10)
inchikey: HVMPYIKTQSOMHA-UHFFFAOYSA-N
monoisotopicmass: 1.4605791E2
label: 2-hydroxy-3,3-dimethyl-4-oxo-butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 6:1;O2

17S-Hydroxyoctadecatetra-9,11,13,15-ynoic acid
type: Class
formula: C18H20O3
inchi: InChI=1S/C18H20O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h17,19H,4,6,8,10,12,14,16H2,1H3,(H,20,21)/t17-/m0/s1
inchikey: MTWGWIOCIREVRF-KRWDZBQOSA-N
monoisotopicmass: 2.84141245E2
label: Minquartynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_542606
abbrev: FA 18:8;O

(2S)-2-hydroxy-2-methyl-3-oxobutanoic acid
type: Class
formula: C5H8O4
inchi: InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)/t5-/m0/s1
inchikey: NMDWGEGFJUBKLB-YFKPBYRVSA-N
monoisotopicmass: 1.3204226E2
label: (S)-2-Acetolactate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_18409
abbrev: FA 5:1;O2

(S)-3,4-Dihydroxybutyric acid
type: Class
formula: C4H8O4
inchi: InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8)
inchikey: DZAIOXUZHHTJKN-UHFFFAOYSA-N
monoisotopicmass: 1.2004226E2
label: 3,4-dihydroxybutanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_86371
abbrev: FA 4:0;O2

(3S)-3-hydroxy-3-methyl-2-oxopentanoic acid
type: Class
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1
inchikey: YJVOWRAWFXRESP-LURJTMIESA-N
monoisotopicmass: 1.4605791E2
label: (S)-3-hydroxy-3-methyl-2-oxopentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_53335
abbrev: FA 6:1;O2

(3S)-3-hydroxybutanoic acid
type: Class
formula: C4H8O3
inchi: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
inchikey: WHBMMWSBFZVSSR-VKHMYHEASA-N
monoisotopicmass: 1.04047345E2
label: (S)-3-Hydroxybutyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_17290
abbrev: FA 4:0;O

(4S)-4-hydroxy-2-oxopentanoic acid
type: Class
formula: C5H8O4
inchi: InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9)/t3-/m0/s1
inchikey: HFKQINMYQUXOCH-VKHMYHEASA-N
monoisotopicmass: 1.3204226E2
label: (S)-4-hydroxy-2-oxopentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_73148
abbrev: FA 5:1;O2

2,3-Dihydroxy-2-methylbutanoic acid
type: Class
formula: C5H10O4
inchi: InChI=1S/C5H10O4/c1-3(6)5(2,9)4(7)8/h3,6,9H,1-2H3,(H,7,8)
inchikey: AOWPAWLEXIYETE-UHFFFAOYSA-N
monoisotopicmass: 1.3405791E2
label: 2,3-dihydroxy-2-methylbutanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_173559
abbrev: FA 5:0;O2

2,3-Dihydroxy-3-methylpentanoic acid
type: Class
formula: C6H12O4
inchi: InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)
inchikey: PDGXJDXVGMHUIR-UHFFFAOYSA-N
monoisotopicmass: 1.4807356E2
label: 2,3-dihydroxy-3-methyl-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI 882
abbrev: FA 6:0;O2

2,3-dimethylmalic acid
type: Class
formula: C6H10O5
inchi: InChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)
inchikey: WTIIULQJLZEHGZ-UHFFFAOYSA-N
monoisotopicmass: 1.62052825E2
label: 2-hydroxy-2,3-dimethylbutanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_15590
abbrev: FA 6:1;O3

2,5-didehydro-D-gluconic acid
type: Class
formula: C6H8O7
inchi: InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-4,7,9-10H,1H2,(H,12,13)/t3-,4+/m1/s1
inchikey: RXMWXENJQAINCC-DMTCNVIQSA-N
monoisotopicmass: 1.92027005E2
label: D-threo-hexo-2,5-diulosonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_18281
abbrev: FA 6:2;O5

2-Acetolactate
type: Class
formula: C5H8O4
inchi: InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)
inchikey: NMDWGEGFJUBKLB-UHFFFAOYSA-N
monoisotopicmass: 1.3204226E2
label: 2-hydroxy-2-methyl-3-oxobutanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_16444
abbrev: FA 5:1;O2

2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid
type: Class
formula: C7H13NO5
inchi: InChI=1S/C7H13NO5/c1-3(9)6(11)5(10)2-4(8)7(12)13/h4-6,10-11H,2,8H2,1H3,(H,12,13)/t4-,5+,6+/m0/s1
inchikey: IFMHGOADXGYWMO-KVQBGUIXSA-N
monoisotopicmass: 1.91079374E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_58859

(4S)-4,5-dihydroxy-2-oxopentanoic acid
type: Class
formula: C5H8O5
inchi: InChI=1S/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)/t3-/m0/s1
inchikey: UQIGQRSJIKIPKZ-VKHMYHEASA-N
monoisotopicmass: 1.48037175E2
label: 2-dehydro-3-deoxy-D-arabinonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI 1060
abbrev: FA 5:1;O3

2-dehydro-3-deoxy-D-gluconic acid
type: Class
formula: C6H10O6
inchi: InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1
inchikey: WPAMZTWLKIDIOP-WVZVXSGGSA-N
monoisotopicmass: 1.7804774E2
label: 3-deoxy-D-erythro-hex-2-ulosonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_17032
abbrev: FA 6:1;O4

2-dehydro-3-deoxy-L-arabinonic acid
type: Class
formula: C5H8O5
inchi: InChI=1S/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)/t3-/m1/s1
inchikey: UQIGQRSJIKIPKZ-GSVOUGTGSA-N
monoisotopicmass: 1.48037175E2
label: 3-deoxy-L-pent-2-ulosonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_17647
abbrev: FA 5:1;O3

(3S,4R)-3,4,5-trihydroxypentanoic acid
type: Class
formula: C5H10O5
inchi: InChI=1S/C5H10O5/c6-2-4(8)3(7)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m0/s1
inchikey: VBUWJOHKCBQXNU-IUYQGCFVSA-N
monoisotopicmass: 1.50052825E2
label: 2-Deoxyribonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_86350
abbrev: FA 5:0;O3

2-Hydroxy-3-methylbutyric acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
inchikey: NGEWQZIDQIYUNV-UHFFFAOYSA-N
monoisotopicmass: 1.18062995E2
label: 2-hydroxy-3-methylbutanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_60645
abbrev: FA 5:0;O

2-hydroxy-3-oxoadipic acid
type: Class
formula: C6H8O6
inchi: InChI=1S/C6H8O6/c7-3(1-2-4(8)9)5(10)6(11)12/h5,10H,1-2H2,(H,8,9)(H,11,12)
inchikey: DVIFFQAOYQDXGL-UHFFFAOYSA-N
monoisotopicmass: 1.7603209E2
label: 2-hydroxy-3-oxohexanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_16278
abbrev: FA 6:2;O4

2-Hydroxy-4-(methylthio)butanoic acid
type: Class
formula: C5H10O3S
inchi: InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
inchikey: ONFOSYPQQXJWGS-UHFFFAOYSA-N
monoisotopicmass: 1.50035066E2
label: 2-hydroxy-4-(methylsulfanyl)butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_137228

2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
type: Class
formula: C7H8O8
inchi: InChI=1S/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)
inchikey: RQMCNDRMPZBEOD-UHFFFAOYSA-N
monoisotopicmass: 2.2002192E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_17250
abbrev: FA 7:3;O6

2-Hydroxy-4-oxopentanoic acid
type: Class
formula: C5H8O4
inchi: InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h4,7H,2H2,1H3,(H,8,9)
inchikey: QTSNVMMGKAPSRT-UHFFFAOYSA-N
monoisotopicmass: 1.3204226E2
label: 2-hydroxy-4-oxopentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_173533
abbrev: FA 5:1;O2

2-hydroxyglutaric acid
type: Class
formula: C5H8O5
inchi: InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
inchikey: HWXBTNAVRSUOJR-UHFFFAOYSA-N
monoisotopicmass: 1.48037175E2
label: 2-oxidanylpentanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_17084
abbrev: FA 5:1;O3

2-Hydroxymyristic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
inchikey: JYZJYKOZGGEXSX-UHFFFAOYSA-N
monoisotopicmass: 2.44203846E2
label: 2-hydroxytetradecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_59270
equivalent class: SLM_000485325
abbrev: FA 14:0;O

(2S)-2-oxidanyloctadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1
inchikey: KIHBGTRZFAVZRV-KRWDZBQOSA-N
monoisotopicmass: 3.00266446E2
label: 2-hydroxystearate
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_18129
abbrev: FA 18:0;O

(4R,5R)-4,5,6-trihydroxy-2-oxohexanoic acid
type: Class
formula: C6H10O6
inchi: InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1
inchikey: WPAMZTWLKIDIOP-NQXXGFSBSA-N
monoisotopicmass: 1.7804774E2
label: 2-Keto-3-deoxy-D-gluconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_17028
abbrev: FA 6:1;O4

3,16-dihydroxyhexadecanoic acid
type: Class
formula: C16H32O4
inchi: InChI=1S/C16H32O4/c17-13-11-9-7-5-3-1-2-4-6-8-10-12-15(18)14-16(19)20/h15,17-18H,1-14H2,(H,19,20)
inchikey: ZGYXOTYZKRXDBF-UHFFFAOYSA-N
monoisotopicmass: 2.88230061E2
label: 3,16-dihydroxypalmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_63900
equivalent class: SLM_000389379
abbrev: FA 16:0;O2

2,5-dideoxy-4-C-dodecylpentonic acid
type: Class
formula: C17H34O4
inchi: InChI=1S/C17H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-17(2,21)15(18)14-16(19)20/h15,18,21H,3-14H2,1-2H3,(H,19,20)
inchikey: NACNPFXTZNCJJY-UHFFFAOYSA-N
monoisotopicmass: 3.02245711E2
label: 3,4-dihydroxy-4-methylhexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_68513
abbrev: FA 17:0;O2

(4R,5S)-4,5-dihydroxy-2,6-dioxoheptanoic acid;3,7-dideoxy-D-threo-hepto-2,6-diuolosonic acid
type: Class
formula: C7H10O6
inchi: InChI=1S/C7H10O6/c1-3(8)6(11)4(9)2-5(10)7(12)13/h4,6,9,11H,2H2,1H3,(H,12,13)/t4-,6-/m1/s1
inchikey: JBJFMONKIKZMPK-INEUFUBQSA-N
monoisotopicmass: 1.9004774E2
label: 3,7-dideoxy-D-threo-hepto-2,6-diuolosonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_51822
abbrev: FA 7:2;O4

(4S)-4,6-dihydroxy-2,5-dioxohexanoic acid;3-deoxy-D-glycero-hexo-2,5-diulosonic acid
type: Class
formula: C6H8O6
inchi: InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,7-8H,1-2H2,(H,11,12)/t3-/m0/s1
inchikey: IBGYNIRCYXIAON-VKHMYHEASA-N
monoisotopicmass: 1.7603209E2
label: 3-deoxy-D-glycero-hexo-2,5-diulosonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_15623
abbrev: FA 6:2;O4

(2S,3R)-3-hydroxy-2-methylbutanoic acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4+/m0/s1
inchikey: VEXDRERIMPLZLU-IUYQGCFVSA-N
monoisotopicmass: 1.18062995E2
label: 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165405
abbrev: FA 5:0;O

(2R,3R)-3-hydroxy-2-methylbutanoic acid
type: Class
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4-/m1/s1
inchikey: VEXDRERIMPLZLU-QWWZWVQMSA-N
monoisotopicmass: 1.18062995E2
label: 3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_168648
abbrev: FA 5:0;O

3-Hydroxyvalproic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-3-5-6(8(10)11)7(9)4-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)
inchikey: LLPFTSMZBSRZDV-UHFFFAOYSA-N
monoisotopicmass: 1.60109945E2
label: 3-hydroxy-2-propylpentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_80637
abbrev: FA 8:0;O

4-Hydroxyvalproic acid
type: Class
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-3-4-7(8(10)11)5-6(2)9/h6-7,9H,3-5H2,1-2H3,(H,10,11)
inchikey: OASKNPCLIHUTTL-UHFFFAOYSA-N
monoisotopicmass: 1.60109945E2
label: 4-hydroxy-2-propylpentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_80635
abbrev: FA 8:0;O

2-ethyl-2-hydroxy-3-oxo-butanoic acid
type: Class
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)
inchikey: VUQLHQFKACOHNZ-UHFFFAOYSA-N
monoisotopicmass: 1.4605791E2
label: Acetohydroxybutyrate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI 982
abbrev: FA 6:1;O2

(2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid
type: Class
formula: C16H24O3
inchi: InChI=1S/C16H24O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h6-12,14-15,17H,2-5,13H2,1H3,(H,18,19)/b7-6+,10-8+,12-9+,14-11+
inchikey: CMIWOGJRXHRRFL-CQWJRODPSA-N
monoisotopicmass: 2.64172545E2
label: all-trans-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_70740
abbrev: FA 16:4;O

3-hydroxy-2-tetradecyloctadecanoic acid
type: Class
formula: C32H64O3
inchi: InChI=1S/C32H64O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)30(32(34)35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31,33H,3-29H2,1-2H3,(H,34,35)
inchikey: CUEQHYJSSUSIFI-UHFFFAOYSA-N
monoisotopicmass: 4.96485546E2
label: Corynomycolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_60916
abbrev: FA 32:0;O

(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylic acid
type: Class
formula: C6H8O8
inchi: InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)/t3-,6+/m1/s1
inchikey: ZMJBYMUCKBYSCP-CVYQJGLWSA-N
monoisotopicmass: 2.0802192E2
label: Garcinia acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_165420
abbrev: FA 6:2;O6

(2S)-2-amino-6-{[(2S)-4-amino-2-hydroxybutyl]amino}hexanoic acid
type: Class
formula: C10H23N3O3
inchi: InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1
inchikey: BZUIJMCJNWUGKQ-IUCAKERBSA-N
monoisotopicmass: 2.33173941E2
label: Hypusine
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110

(9R,10R)-9,10-dihydroxyoctadecanoic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17-/m1/s1
inchikey: VACHUYIREGFMSP-IAGOWNOFSA-N
monoisotopicmass: 3.16261361E2
label: threo-9,10-Dihydroxystearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:0;O2

3-hydroxy-2-oxobutanoic acid
type: Class
formula: C4H6O4
inchi: InChI=1S/C4H6O4/c1-2(5)3(6)4(7)8/h2,5H,1H3,(H,7,8)
inchikey: QWZIITCYKKSZGN-UHFFFAOYSA-N
monoisotopicmass: 1.1802661E2
label: xi-3-Hydroxy-2-oxobutanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_173438
abbrev: FA 4:1;O2

5-hydroxydodecanoic acid
type: Class
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-2-3-4-5-6-8-11(13)9-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
inchikey: LXNOENXQFNYMGT-UHFFFAOYSA-N
monoisotopicmass: 2.16172545E2
label: xi-5-Hydroxydodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_171725
abbrev: FA 12:0;O

Methyl 15,16-dihydroxy-tetracosanoate
type: Class
formula: C25H50O4
inchi: InChI=1S/C25H50O4/c1-3-4-5-6-14-17-20-23(26)24(27)21-18-15-12-10-8-7-9-11-13-16-19-22-25(28)29-2/h23-24,26-27H,3-22H2,1-2H3
inchikey: ANKIJNMJOZDVJY-UHFFFAOYSA-N
monoisotopicmass: 4.14370911E2
label: Tetracosanoic acid, 15,16-dihydroxy-, methyl ester
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 25:0;O2

9S,12R,13S-trihydroxy-10E,15Z-Octadecadienoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+/t15-,16-,17+/m0/s1
inchikey: MKYUCBXUUSZMQB-OADLNGDBSA-N
monoisotopicmass: 3.28224976E2
label: Malyngic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_186209
abbrev: FA 18:2;O3

2,3,4,5-tetrahydroxyhexanoic acid
type: Class
formula: C6H12O6
inchi: InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)
inchikey: NBFWIISVIFCMDK-UHFFFAOYSA-N
monoisotopicmass: 1.8006339E2
label: Fuconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 6:0;O4

11-Hydroxyceromelissic acid
type: Class
formula: C33H66O3
inchikey: XJUVNDYZYNYSSN-UHFFFAOYSA-N
monoisotopicmass: 5.10501196E2
label: 11-hydroxy-tritriacontanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 33:0;O

8,23-dihydroxytriacontanoic acid
type: Class
formula: C30H60O4
inchi: InChI=1S/C30H60O4/c1-2-3-4-13-18-23-28(31)24-19-14-11-9-7-5-6-8-10-12-15-20-25-29(32)26-21-16-17-22-27-30(33)34/h28-29,31-32H,2-27H2,1H3,(H,33,34)
inchikey: QGUHQIPBVVVKMJ-UHFFFAOYSA-N
monoisotopicmass: 4.84449161E2
label: Lanoceric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 30:0;O2

9,10,12,13,15,16-hexahydroxyoctadecanoic acid
type: Class
formula: C18H36O8
inchi: InChI=1S/C18H36O8/c1-2-12(19)14(21)10-16(23)17(24)11-15(22)13(20)8-6-4-3-5-7-9-18(25)26/h12-17,19-24H,2-11H2,1H3,(H,25,26)
inchikey: HCPSZQRUACPWRI-UHFFFAOYSA-N
monoisotopicmass: 3.80241021E2
label: Linusic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_184601
abbrev: FA 18:0;O6

9,10,12,13-tetrahydroxydocosanoic acid
type: Class
formula: C22H44O6
inchi: InChI=1S/C22H44O6/c1-2-3-4-5-6-8-11-14-18(23)20(25)17-21(26)19(24)15-12-9-7-10-13-16-22(27)28/h18-21,23-26H,2-17H2,1H3,(H,27,28)
inchikey: ZBPHOPAOHAJOMC-UHFFFAOYSA-N
monoisotopicmass: 4.04313791E2
label: Ventosic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/104
abbrev: FA 22:0;O4

9,10,13-trihydroxy-Octadecanoic acid
type: Class
formula: C18H36O5
inchi: InChI=1S/C18H36O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h15-17,19-21H,2-14H2,1H3,(H,22,23)
inchikey: CDWBHGXGXFTKRD-UHFFFAOYSA-N
monoisotopicmass: 3.32256276E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_156190
abbrev: FA 18:0;O3

10-Hydroxy-9-ketooctadecanoic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16,19H,2-15H2,1H3,(H,21,22)
inchikey: CHNFVYBDYZFQNI-UHFFFAOYSA-N
monoisotopicmass: 3.14245711E2
label: 10-Hydroxy-9-oxooctadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:1;O2

2R,15R,16-Trihydroxyhexadecanoic acid
type: Class
formula: C16H32O5
inchi: InChI=1S/C16H32O5/c17-13-14(18)11-9-7-5-3-1-2-4-6-8-10-12-15(19)16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15-/m1/s1
inchikey: IZPRWLOIBRTQDF-HUUCEWRRSA-N
monoisotopicmass: 3.04224976E2
label: Ustilic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 16:0;O3

2-Hydroxy-9Z-octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17,19H,2-8,11-16H2,1H3,(H,20,21)/b10-9-
inchikey: JBSOOFITVPOOSY-KTKRTIGZSA-N
monoisotopicmass: 2.98250796E2
label: 2-Hydroxyoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_143096
abbrev: FA 18:1;O

8-Hydroxyhexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
inchikey: KMEKMXBMYZGGDT-UHFFFAOYSA-N
monoisotopicmass: 2.72235146E2
label: 8-Hydroxypalmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 16:0;O

9-Hydroxymyristic acid
type: Class
formula: C14H28O3
inchi: InChI=1S/C14H28O3/c1-2-3-7-10-13(15)11-8-5-4-6-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
inchikey: KRUIJHPTWXBHHE-UHFFFAOYSA-N
monoisotopicmass: 2.44203846E2
label: 9-Hydroxytetradecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_167573
abbrev: FA 14:0;O

5,8,12-Trihydroxy-9-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-4-5-8-15(19)9-6-10-16(20)13-14-17(21)11-7-12-18(22)23/h6,10,15-17,19-21H,2-5,7-9,11-14H2,1H3,(H,22,23)
inchikey: LGADJSRSYLFTSG-UHFFFAOYSA-N
monoisotopicmass: 3.30240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:1;O3

7-Acetoxy-2E,4E,6E-tetradecatrienoic acid
type: Class
formula: C16H24O4
inchi: InChI=1S/C16H24O4/c1-3-4-5-6-8-11-15(20-14(2)17)12-9-7-10-13-16(18)19/h7,9-10,12-13H,3-6,8,11H2,1-2H3,(H,18,19)/b9-7+,13-10+,15-12-
inchikey: NUHFPEGLUIBUQT-XHFJTRGNSA-N
monoisotopicmass: 2.8016746E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187839
abbrev: FA 16:4;O2

9-hydroxy-pentadecanoic acid
type: Class
formula: C15H30O3
inchi: InChI=1S/C15H30O3/c1-2-3-4-8-11-14(16)12-9-6-5-7-10-13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
inchikey: QJJOBOZUQBBKPB-UHFFFAOYSA-N
monoisotopicmass: 2.58219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 15:0;O

3-Acetoxy-eicosanoic acid
type: Class
formula: C22H42O4
inchi: InChI=1S/C22H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19-22(24)25)26-20(2)23/h21H,3-19H2,1-2H3,(H,24,25)
inchikey: SELBZODRWLCDNA-UHFFFAOYSA-N
monoisotopicmass: 3.70308311E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 22:1;O2

2R-hydroxy-15Z-tetracosenoic acid
type: Class
formula: C24H46O3
inchikey: UFOOFOUFKSIFCD-DJYGDJEFSA-N
monoisotopicmass: 3.82344696E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 24:1;O

9,10-Dihydroxydocosanoic acid
type: Class
formula: C22H44O4
inchi: InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-11-14-17-20(23)21(24)18-15-12-10-13-16-19-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)
inchikey: UNIHVJYJIYQWMS-UHFFFAOYSA-N
monoisotopicmass: 3.72323961E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/104
abbrev: FA 22:0;O2

9R-hydroxy-10E,12E-octadecadienoic acid, methyl ester
type: Class
formula: C19H34O3
inchi: InChI=1S/C19H34O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h7,9,12,15,18,20H,3-6,8,10-11,13-14,16-17H2,1-2H3/b9-7+,15-12+/t18-/m0/s1
inchikey: WRXGTVUDZZBNPN-UGZMQUNVSA-N
monoisotopicmass: 3.10250796E2
label: Methyl 9R-hydroxy-10E,12E-octadecadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_183573
abbrev: FA 19:2;O

3-Acetoxy-hexadecanoic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(15-18(20)21)22-16(2)19/h17H,3-15H2,1-2H3,(H,20,21)
inchikey: YGOMZEGUVXYKIH-UHFFFAOYSA-N
monoisotopicmass: 3.14245711E2
label: 3-Acetoxy-palmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 18:1;O2

5-Acetoxy-2E,4E,6E-tetradecatrienoic acid
type: Class
formula: C16H24O4
inchi: InChI=1S/C16H24O4/c1-3-4-5-6-7-8-9-11-15(20-14(2)17)12-10-13-16(18)19/h9-13H,3-8H2,1-2H3,(H,18,19)/b11-9+,13-10+,15-12-
inchikey: YQFHNRBXJBNOLE-HBCXVKFPSA-N
monoisotopicmass: 2.8016746E2
label: 5-Acetoxy-tetradeca-2E,4E,6E-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187865
abbrev: FA 16:4;O2

13,14-dihydroxy-octadecanoic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-13-16(19)17(20)14-11-9-7-5-4-6-8-10-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: SXFPGQOZGWIINB-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_190385
abbrev: FA 18:0;O2

(14Z,17Z,20R,21E,23E,25Z,27S,29Z)-20,27-dihydroxydotriaconta-14,17,21,23,25,29-hexaenoic acid
type: Class
formula: C32H52O4
inchi: InChI=1S/C32H52O4/c1-2-3-20-25-30(33)27-22-18-19-23-28-31(34)26-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-24-29-32(35)36/h3,10,12,16,18-23,27-28,30-31,33-34H,2,4-9,11,13-15,17,24-26,29H2,1H3,(H,35,36)/b12-10-,19-18+,20-3-,21-16-,27-22-,28-23+/t30-,31+/m0/s1
inchikey: HAGAAYCQMVSCFY-IORKINDHSA-N
monoisotopicmass: 5.00386561E2
label: ELV-N32
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 32:6;O2

(16Z,19Z,22R,23E,25E,27Z,29S,31Z)-22,29-dihydroxytetratriaconta-16,19,23,25,27,31-hexaenoic acid
type: Class
formula: C34H56O4
inchi: InChI=1S/C34H56O4/c1-2-3-22-27-32(35)29-24-20-21-25-30-33(36)28-23-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-26-31-34(37)38/h3,12,14,18,20-25,29-30,32-33,35-36H,2,4-11,13,15-17,19,26-28,31H2,1H3,(H,37,38)/b14-12-,21-20+,22-3-,23-18-,29-24-,30-25+/t32-,33+/m0/s1
inchikey: RELOZBYGQUUUEG-FMNPVTMVSA-N
monoisotopicmass: 5.28417861E2
label: ELV-N34
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 34:6;O2

12,13,15-trihydroxy-9E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-11-15(19)14-17(21)16(20)12-9-7-5-3-4-6-8-10-13-18(22)23/h7,9,15-17,19-21H,2-6,8,10-14H2,1H3,(H,22,23)/b9-7+
inchikey: ZGSOWLLPRXIOOF-VQHVLOKHSA-N
monoisotopicmass: 3.30240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_187093
abbrev: FA 18:1;O3

(Z)-octadeca-9,17-dien-12,14-diyne-1,16-diol
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2,4,6,18-20H,1,3,5,7-9,11,13,15,17H2/b6-4-
inchikey: ODKNULFBMLGPHW-XQRVVYSFSA-N
monoisotopicmass: 2.7419328E2
label: Octadeca-9Z,17-dien-12,14-diyne-1,16-diol
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/102

7R,18R-dihydroxy-15Z-tetracosenoic acid
type: Class
formula: C24H46O4
inchi: InChI=1S/C24H46O4/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)20-15-11-16-21-24(27)28/h9,13,22-23,25-26H,2-8,10-12,14-21H2,1H3,(H,27,28)/b13-9-/t22-,23-/m1/s1
inchikey: XTSZRMFZUAMBRN-FIIQTUGESA-N
monoisotopicmass: 3.98339611E2
label: Nebraskanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_169274
abbrev: FA 24:1;O2

7R,18R-dihydroxy-15Z,21Z-tetracosadienoic acid
type: Class
formula: C24H44O4
inchi: InChI=1S/C24H44O4/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)20-15-11-16-21-24(27)28/h3-4,9,13,22-23,25-26H,2,5-8,10-12,14-21H2,1H3,(H,27,28)/b4-3-,13-9-/t22-,23-/m1/s1
inchikey: MYDDZMLKINSENR-TZWOSKRLSA-N
monoisotopicmass: 3.96323961E2
label: Wuhanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_168300
abbrev: FA 24:2;O2

10-hydroxy-11E-octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+
inchikey: VALAUXDVLYFOEG-SDNWHVSQSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 18:1;O

9S-hydroxy-7E-hexadecenoic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h10,13,15,17H,2-9,11-12,14H2,1H3,(H,18,19)/b13-10+/t15-/m0/s1
inchikey: ACEMCBZWGKLMMU-VOMSXAGXSA-N
monoisotopicmass: 2.70219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 16:1;O

9S-HHTrE
type: Class
formula: C16H26O3
inchi: InChI=1S/C16H26O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h4,6-7,9-10,12,15,17H,2-3,5,8,11,13-14H2,1H3,(H,18,19)/b6-4-,10-7-,12-9+/t15-/m1/s1
inchikey: UNKABLLGTHOOAP-FJQSMFNXSA-N
monoisotopicmass: 2.66188195E2
label: 9S-hydroxy-6Z,10E,12Z-hexadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 16:3;O

9R-hydroxy-2E,4E-decadienoic acid
type: Class
formula: C10H16O3
inchi: InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,12,13)/b4-2+,8-6+/t9-/m1/s1
inchikey: BUNUAXLBBKVLBE-WMCYJUNYSA-N
monoisotopicmass: 1.84109945E2
label: Ieodomycin D
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_69908
abbrev: FA 10:2;O

3S,11R-dihydroxy-4E,6E-dodecadienoic acid
type: Class
formula: C12H20O4
inchi: InChI=1S/C12H20O4/c1-2-6-10(13)7-4-3-5-8-11(14)9-12(15)16/h3-5,8,10-11,13-14H,2,6-7,9H2,1H3,(H,15,16)/b4-3+,8-5+/t10-,11-/m1/s1
inchikey: VMUYJTLOZZXCIC-RFSDFRCRSA-N
monoisotopicmass: 2.2813616E2
label: Ieodomycin C
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 12:2;O2

Ieodomycin A
type: Class
formula: C13H22O4
inchi: InChI=1S/C13H22O4/c1-4-5-10(2)6-7-11(14)8-12(15)9-13(16)17-3/h4-5,11-12,14-15H,1,6-9H2,2-3H3/b10-5+/t11-,12+/m1/s1
inchikey: LMFWMDRALYGQES-SRXIBPRUSA-N
monoisotopicmass: 2.4215181E2
label: Methyl 3S,5R-dihydroxy-8-methyl-8E,10-undecadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_69905
abbrev: FA 13:2;O2

9-hydroxy-12-oxo-10E-dodecenoic acid
type: Class
formula: C12H20O4
inchi: InChI=1S/C12H20O4/c13-10-6-8-11(14)7-4-2-1-3-5-9-12(15)16/h6,8,10-11,14H,1-5,7,9H2,(H,15,16)/b8-6+
inchikey: ADPDWAFVBDMZSV-SOFGYWHQSA-N
monoisotopicmass: 2.2813616E2
label: 9-hydroxy-traumatin
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 12:2;O2

3R-hydroxymyristic acid methyl ester
type: Class
formula: C15H30O3
inchi: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14,16H,3-13H2,1-2H3/t14-/m1/s1
inchikey: UOZZAMWODZQSOA-CQSZACIVSA-N
monoisotopicmass: 2.58219496E2
label: Methyl 3R-hydroxytetradecanoate
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 15:0;O

17S,18-dihydroxyoctadecatetra-9,11,13,15-ynoic acid
type: Class
formula: C18H20O4
inchi: InChI=1S/C18H20O4/c19-16-17(20)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18(21)22/h17,19-20H,3,5,7,9,11,13,15-16H2,(H,21,22)/t17-/m1/s1
inchikey: HDRUWFRNPPKRDB-QGZVFWFLSA-N
monoisotopicmass: 3.0013616E2
label: 18-hydroxyminquartynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 18:8;O2

(E)-15,16-dihydrominquartynoic acid
type: Class
formula: C18H22O3
inchi: InChI=1S/C18H22O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h13,15,17,19H,4,6,8,10,12,14,16H2,1H3,(H,20,21)/b15-13+/t17-/m0/s1
inchikey: UQORHUYKZNBNLF-VOGRQWBCSA-N
monoisotopicmass: 2.86156895E2
label: 17S-hydroxy-15E-octadeca-9,11,13-triynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 18:7;O

5S,8R-dihydroxy-dodeca-6-ynoic acid
type: Class
formula: C12H20O4
inchi: InChI=1S/C12H20O4/c1-2-3-5-10(13)8-9-11(14)6-4-7-12(15)16/h10-11,13-14H,2-7H2,1H3,(H,15,16)/t10-,11+/m1/s1
inchikey: FFERRNKFKPTEJW-MNOVXSKESA-N
monoisotopicmass: 2.2813616E2
label: Gallicynoic acid G
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 12:2;O2

9S,12R-dihydroxy-hexadeca-10-ynoic acid
type: Class
formula: C16H28O4
inchi: InChI=1S/C16H28O4/c1-2-3-9-14(17)12-13-15(18)10-7-5-4-6-8-11-16(19)20/h14-15,17-18H,2-11H2,1H3,(H,19,20)/t14-,15+/m1/s1
inchikey: VAEJVKIWYRYFDG-CABCVRRESA-N
monoisotopicmass: 2.84198761E2
label: Gallicynoic acid H
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 16:2;O2

6-hydroxy-deca-4-ynoic acid
type: Class
formula: C10H16O3
inchi: InChI=1S/C10H16O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h9,11H,2-3,5-6,8H2,1H3,(H,12,13)
inchikey: DPGVHXHAHQPSNB-UHFFFAOYSA-N
monoisotopicmass: 1.84109945E2
label: Gallicynoic acid I
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 10:2;O

9,10,11,14- tetrahydroxy-octadeca-12-ynoic acid
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-3-9-14(19)12-13-16(21)18(24)15(20)10-7-5-4-6-8-11-17(22)23/h14-16,18-21,24H,2-11H2,1H3,(H,22,23)
inchikey: DTCUTCQYZMBUDK-UHFFFAOYSA-N
monoisotopicmass: 3.44219891E2
label: Gallicynoic acid F
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 18:2;O4

3,11,14-trihydroxy-octadeca-9-en-12-ynoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-9-15(19)12-13-16(20)10-7-5-4-6-8-11-17(21)14-18(22)23/h7,10,15-17,19-21H,2-6,8-9,11,14H2,1H3,(H,22,23)/b10-7-
inchikey: IRDUBXGVWQSMKQ-YFHOEESVSA-N
monoisotopicmass: 3.26209326E2
label: Gallicynoic acid E
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 18:3;O3

7,10-dihydroxytetradeca-5Z-en-8-ynoic acid
type: Class
formula: C14H22O4
inchi: InChI=1S/C14H22O4/c1-2-3-7-12(15)10-11-13(16)8-5-4-6-9-14(17)18/h5,8,12-13,15-16H,2-4,6-7,9H2,1H3,(H,17,18)/b8-5-
inchikey: WSAOFJBMEVAKDJ-YVMONPNESA-N
monoisotopicmass: 2.5415181E2
label: Gallicynoic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 14:3;O2

8,11-dihydroxypentadeca-6Z-en-9-ynoic acid
type: Class
formula: C15H24O4
inchi: InChI=1S/C15H24O4/c1-2-3-8-13(16)11-12-14(17)9-6-4-5-7-10-15(18)19/h6,9,13-14,16-17H,2-5,7-8,10H2,1H3,(H,18,19)/b9-6-
inchikey: USYGFJALDRCDGW-TWGQIWQCSA-N
monoisotopicmass: 2.6816746E2
label: Gallicynoic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 15:3;O2

9,12-dihydroxyhexadeca-7Z-en-10-ynoic acid
type: Class
formula: C16H26O4
inchi: InChI=1S/C16H26O4/c1-2-3-9-14(17)12-13-15(18)10-7-5-4-6-8-11-16(19)20/h7,10,14-15,17-18H,2-6,8-9,11H2,1H3,(H,19,20)/b10-7-
inchikey: IJBTXFFPFVNDAG-YFHOEESVSA-N
monoisotopicmass: 2.8218311E2
label: Gallicynoic acid C
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 16:3;O2

11,14-dihydroxyoctadeca-9Z-en-12-ynoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-11-16(19)14-15-17(20)12-9-7-5-4-6-8-10-13-18(21)22/h9,12,16-17,19-20H,2-8,10-11,13H2,1H3,(H,21,22)/b12-9-
inchikey: ABCUJZSRBYAWAE-XFXZXTDPSA-N
monoisotopicmass: 3.10214411E2
label: Gallicynoic acid D
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 18:3;O2

9,10-dihydroxy-2E,4E-decadienoic acid
type: Class
formula: C10H16O4
inchi: InChI=1S/C10H16O4/c11-8-9(12)6-4-2-1-3-5-7-10(13)14/h1,3,5,7,9,11-12H,2,4,6,8H2,(H,13,14)/b3-1+,7-5+
inchikey: UKEJNPOKFAQIRU-KPMZXABDSA-N
monoisotopicmass: 2.0010486E2
label: Cladosporacid E
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 10:2;O2

5,11-dihydroxy-2E,6E-didodecenoic acid
type: Class
formula: C12H20O4
inchi: InChI=1S/C12H20O4/c1-10(13)6-3-2-4-7-11(14)8-5-9-12(15)16/h4-5,7,9-11,13-14H,2-3,6,8H2,1H3,(H,15,16)/b7-4+,9-5+
inchikey: FBODEHACQCEIJP-XCIOYXGDSA-N
monoisotopicmass: 2.2813616E2
label: Cladosporacid D
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 12:2;O2

10-hydroxy-4-hydroxymethyl-2E-undecenoic acid
type: Class
formula: C12H22O4
inchi: InChI=1S/C12H22O4/c1-10(13)6-4-3-5-7-11(16-2)8-9-12(14)15/h8-11,13H,3-7H2,1-2H3,(H,14,15)/b9-8+
inchikey: AOGGAUMDWFZAEF-CMDGGOBGSA-N
monoisotopicmass: 2.3015181E2
label: Cladosporacid C
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 12:1;O2

9,11-dihydroxy-2E-dodecenoic acid
type: Class
formula: C12H22O4
inchi: InChI=1S/C12H22O4/c1-10(13)9-11(14)7-5-3-2-4-6-8-12(15)16/h6,8,10-11,13-14H,2-5,7,9H2,1H3,(H,15,16)/b8-6+
inchikey: QOIUJZNTHOTPEI-SOFGYWHQSA-N
monoisotopicmass: 2.3015181E2
label: Cladosporacid B
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 12:1;O2

5,11-dihydroxy-2E-dodecenoic acid
type: Class
formula: C12H22O4
inchi: InChI=1S/C12H22O4/c1-10(13)6-3-2-4-7-11(14)8-5-9-12(15)16/h5,9-11,13-14H,2-4,6-8H2,1H3,(H,15,16)/b9-5+
inchikey: BAFMYYVGHUWMQJ-WEVVVXLNSA-N
monoisotopicmass: 2.3015181E2
label: Cladosporacid A
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 12:1;O2

Cladosporester A
type: Class
formula: C13H24O4
inchi: InChI=1S/C13H24O4/c1-11(14)7-4-3-5-8-12(15)9-6-10-13(16)17-2/h6,10-12,14-15H,3-5,7-9H2,1-2H3/b10-6+
inchikey: YMVOPCVZPBIGSM-UXBLZVDNSA-N
monoisotopicmass: 2.4416746E2
label: Methyl 5,11-dihydroxy-2E-dodecenoate
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 13:1;O2

Cladosporester B
type: Class
formula: C13H24O4
inchi: InChI=1S/C13H24O4/c1-11(14)7-5-3-4-6-8-12(15)9-10-13(16)17-2/h9-12,14-15H,3-8H2,1-2H3/b10-9+
inchikey: SGEZQWKVVXLPTP-MDZDMXLPSA-N
monoisotopicmass: 2.4416746E2
label: Methyl 4,11-dihydroxy-2E-dodecenoate
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 13:1;O2

10-beta-D-glucopyranosyloxy-deca-8Z-en-4,6-diynoic acid
type: Class
formula: C16H20O8
inchi: InChI=1S/C16H20O8/c17-10-11-13(20)14(21)15(22)16(24-11)23-9-7-5-3-1-2-4-6-8-12(18)19/h5,7,11,13-17,20-22H,6,8-10H2,(H,18,19)/b7-5-/t11-,13-,14+,15-,16-/m1/s1
inchikey: OEFUSTCDLNBWLI-XRIQKJLKSA-N
monoisotopicmass: 3.4011582E2
label: Chuanxiongoside A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105

15R-HTPE
type: Class
formula: C24H38O3
inchi: InChI=1S/C24H38O3/c1-2-3-4-5-11-14-17-20-23(25)21-18-15-12-9-7-6-8-10-13-16-19-22-24(26)27/h7-11,14-15,17-18,20,23,25H,2-6,12-13,16,19,21-22H2,1H3,(H,26,27)/b9-7-,10-8-,14-11-,18-15-,20-17+/t23-/m0/s1
inchikey: WCPFNHAOKQUJEV-XOXYUZRWSA-N
monoisotopicmass: 3.74282096E2
label: 15R-hydroxy-tetracosa-6Z,9Z,12Z,16E,18Z-pentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 24:5;O

15S-HTPE
type: Class
formula: C24H38O3
inchi: InChI=1S/C24H38O3/c1-2-3-4-5-11-14-17-20-23(25)21-18-15-12-9-7-6-8-10-13-16-19-22-24(26)27/h7-11,14-15,17-18,20,23,25H,2-6,12-13,16,19,21-22H2,1H3,(H,26,27)/b9-7-,10-8-,14-11-,18-15-,20-17+/t23-/m1/s1
inchikey: WCPFNHAOKQUJEV-CCRANPHBSA-N
monoisotopicmass: 3.74282096E2
label: 15S-hydroxy-tetracosa-6Z,9Z,12Z,16E,18Z-pentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 24:5;O

16S-Hydroxytricos-8E-en-4,6,17,19-tetraynoic acid
type: Class
formula: C23H28O3
inchi: InChI=1S/C23H28O3/c1-2-3-4-13-16-19-22(24)20-17-14-11-9-7-5-6-8-10-12-15-18-21-23(25)26/h5-6,22,24H,2-3,7,9,11,14,17-18,20-21H2,1H3,(H,25,26)/b6-5+/t22-/m1/s1
inchikey: QGZIGGVDPDGDRQ-IOUFHMPJSA-N
monoisotopicmass: 3.52203846E2
label: Carduusyne E
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 23:9;O

27-Hydroxyoctacosanoic acid
type: Class
formula: C28H56O3
inchi: InChI=1S/C28H56O3/c1-27(29)25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h27,29H,2-26H2,1H3,(H,30,31)
inchikey: GVOCNLPJMKEXLA-UHFFFAOYSA-N
monoisotopicmass: 4.40422946E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 28:0;O

9R-hydroxy-deca-2Z,4E-dienoic acid
type: Class
formula: C10H16O3
inchi: InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,12,13)/b4-2+,8-6-/t9-/m1/s1
inchikey: BUNUAXLBBKVLBE-HKKCCPILSA-N
monoisotopicmass: 1.84109945E2
label: Curvulalic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 10:2;O

6S,7R-dihydroxy-9E-hexadeca-11,13,15-triynoic acid
type: Class
formula: C16H18O4
inchi: InChI=1S/C16H18O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h1,7-8,14-15,17-18H,9-13H2,(H,19,20)/b8-7+/t14-,15+/m1/s1
inchikey: GEOVOVPJHKMMKC-PEGRTIRESA-N
monoisotopicmass: 2.7412051E2
label: Collimonin C
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 16:7;O2

6R,7R-dihydroxy-9E-hexadeca-11,13,15-triynoic acid
type: Class
formula: C16H18O4
inchi: InChI=1S/C16H18O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h1,7-8,14-15,17-18H,9-13H2,(H,19,20)/b8-7+/t14-,15-/m1/s1
inchikey: GEOVOVPJHKMMKC-FHFZEBMASA-N
monoisotopicmass: 2.7412051E2
label: Collimonin D
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 16:7;O2

Methyl 10R-hydroxydodec-8E-en-11-ynoate
type: Class
formula: C13H20O3
inchi: InChI=1S/C13H20O3/c1-3-12(14)10-8-6-4-5-7-9-11-13(15)16-2/h1,8,10,12,14H,4-7,9,11H2,2H3/b10-8+/t12-/m0/s1
inchikey: LQSJBMSGPQIZBT-OANVXVOSSA-N
monoisotopicmass: 2.24141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 13:3;O

6S-hydroxy-2E,4E-dodecadienoic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c1-2-3-4-5-8-11(13)9-6-7-10-12(14)15/h6-7,9-11,13H,2-5,8H2,1H3,(H,14,15)/b9-6+,10-7+/t11-/m0/s1
inchikey: RJYXYKQBJQBREY-PLZNCBDESA-N
monoisotopicmass: 2.12141245E2
label: Lycocasuarinen acid B
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 12:2;O

6S-hydroxy-2E,4E,8E-dodecatrienoic acid
type: Class
formula: C12H18O3
inchi: InChI=1S/C12H18O3/c1-2-3-4-5-8-11(13)9-6-7-10-12(14)15/h4-7,9-11,13H,2-3,8H2,1H3,(H,14,15)/b5-4+,9-6+,10-7+/t11-/m0/s1
inchikey: UFNNEBAWEFZJIU-QXYZXYKKSA-N
monoisotopicmass: 2.10125595E2
label: Lycocasuarinen acid C
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 12:3;O

6S-hydroxy-2E,4E,8E,11E-tetradecatetraenoic acid
type: Class
formula: C14H20O3
inchi: InChI=1S/C14H20O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h3-4,6-9,11-13,15H,2,5,10H2,1H3,(H,16,17)/b4-3+,7-6+,11-8+,12-9+/t13-/m0/s1
inchikey: KCCZWBMGSUSPAS-WPZXCLMWSA-N
monoisotopicmass: 2.36141245E2
label: Lycocasuarinen acid E
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 14:4;O

8-hydroxy-3Z,5Z-tetradecadienoic acid
type: Class
formula: C14H24O3
inchi: InChI=1S/C14H24O3/c1-2-3-4-7-10-13(15)11-8-5-6-9-12-14(16)17/h5-6,8-9,13,15H,2-4,7,10-12H2,1H3,(H,16,17)/b8-5-,9-6-
inchikey: URAJSOLJUHSVKY-VVRUXRSYSA-N
monoisotopicmass: 2.40172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 14:2;O

(26E,43E)-4,5,6,28,33,37,42,45-octahydroxy-14-oxoheptatetraconta-26,43-dien-2,31,34,46-tetraynoic acid
type: Class
formula: C47H72O11
inchi: InChI=1S/C47H72O11/c1-2-38(48)34-35-43(53)30-22-21-29-42(52)32-23-31-41(51)28-20-19-27-40(50)26-16-12-9-7-5-3-4-6-8-11-15-24-39(49)25-17-13-10-14-18-33-44(54)47(58)45(55)36-37-46(56)57/h1,16,26,34-35,38,40-45,47-48,50-55,58H,3-15,17-19,21-22,24-25,27,29-30,32-33H2,(H,56,57)/b26-16+,35-34+
inchikey: YINBTZARCUUZAE-CEASRFAGSA-N
monoisotopicmass: 8.12507466E2
label: Haliclonyne
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 47:11;O9

16S-hydroxy-9Z,17-octadecadiene-12,14-diynoic acid
type: Class
formula: C18H24O3
inchi: InChI=1S/C18H24O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h2-3,5,17,19H,1,4,6-8,10,12,14,16H2,(H,20,21)/b5-3-/t17-/m0/s1
inchikey: HQHIHSWDBHBMOJ-IVZVJUQRSA-N
monoisotopicmass: 2.88172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 18:6;O

9-Hydroxy-6Z-nonenoic acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h2,4,10H,1,3,5-8H2,(H,11,12)/b4-2-
inchikey: ZANZRABKHVYZNF-RQOWECAXSA-N
monoisotopicmass: 1.72109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 9:1;O

2R-hydroxy-5Z,8Z-tetradecadienoic acid
type: Class
formula: C14H24O3
inchi: InChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h6-7,9-10,13,15H,2-5,8,11-12H2,1H3,(H,16,17)/b7-6-,10-9-/t13-/m1/s1
inchikey: HVWBBNKHIIHWCL-UFNCSWJDSA-N
monoisotopicmass: 2.40172545E2
label: 2R-hydroxy-goshuyic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 14:2;O

20-HEPE
type: Class
formula: C20H30O3
inchikey: PPMOWWAALQWWLJ-NUKMUHRASA-N
monoisotopicmass: 3.18219496E2
label: 20-hydroxy-(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_76962
abbrev: FA 20:5;O

22-HDHA
type: Class
formula: C22H32O3
inchikey: DTRUULZFBQUZPD-OAKYPOHLSA-N
monoisotopicmass: 3.44235146E2
label: 22-hydroxy-4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_77124
abbrev: FA 22:6;O

10-hydroxyhexadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-2-3-4-9-12-15(17)13-10-7-5-6-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
inchikey: QUFMVAWAOYDYFV-UHFFFAOYSA-N
monoisotopicmass: 2.72235146E2
label: 10-hydroxypalmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
equivalent class: CHEBI_194453
abbrev: FA 16:0;O

6-hydroxy-9E-hexadecen-11,13,15-triynoic acid
type: Class
formula: C16H18O3
inchi: InChI=1S/C16H18O3/c1-2-3-4-5-6-7-8-9-12-15(17)13-10-11-14-16(18)19/h1,7-8,15,17H,9-14H2,(H,18,19)/b8-7+
inchikey: DPJXRIKIGZSRFS-BQYQJAHWSA-N
monoisotopicmass: 2.58125595E2
label: Massilin A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 16:7;O

6-hydroxy-9E,15-hexadecadien-11,13-diynoic acid
type: Class
formula: C16H20O3
inchi: InChI=1S/C16H20O3/c1-2-3-4-5-6-7-8-9-12-15(17)13-10-11-14-16(18)19/h2,7-8,15,17H,1,9-14H2,(H,18,19)/b8-7+
inchikey: BCKHUZDTDZOLQT-BQYQJAHWSA-N
monoisotopicmass: 2.60141245E2
label: Massilin B
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 16:6;O

12-hydroxy-9Z-dodecenoic acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,13H,1-4,6,8-11H2,(H,14,15)/b7-5-
inchikey: AWMQDOYIFAMZEM-ALCCZGGFSA-N
monoisotopicmass: 2.14156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 12:1;O

15-hydroxy-9Z,12Z-pentadecadienoic acid
type: Class
formula: C15H26O3
inchi: InChI=1S/C15H26O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h2,4,8,10,16H,1,3,5-7,9,11-14H2,(H,17,18)/b4-2-,10-8-
inchikey: ONMBZNVMNBTBBN-VBFFHFTGSA-N
monoisotopicmass: 2.54188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 15:2;O

12,15-dihydroxy-9Z,13E-pentadecadienoic acid
type: Class
formula: C15H26O4
inchi: InChI=1S/C15H26O4/c16-13-9-11-14(17)10-7-5-3-1-2-4-6-8-12-15(18)19/h5,7,9,11,14,16-17H,1-4,6,8,10,12-13H2,(H,18,19)/b7-5-,11-9+
inchikey: ACOHUXXWHPGCCX-BABZSUFTSA-N
monoisotopicmass: 2.7018311E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 15:2;O2

12-hydroxy-9Z,11E-dodecadienoic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,9,11,13H,1-4,6,8,10H2,(H,14,15)/b7-5-,11-9-
inchikey: BSGHGJDQZKSNAB-CXHWBCNXSA-N
monoisotopicmass: 2.12141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 12:2;O

14-hydroxy-7Z,10Z,12E-nonadecatrienoic acid
type: Class
formula: C19H32O3
inchi: InChI=1S/C19H32O3/c1-2-3-12-15-18(20)16-13-10-8-6-4-5-7-9-11-14-17-19(21)22/h4-5,8,10,13,16,18,20H,2-3,6-7,9,11-12,14-15,17H2,1H3,(H,21,22)/b5-4-,10-8-,16-13+
inchikey: XCBZVFDTMZYXJG-MMZHUSJISA-N
monoisotopicmass: 3.08235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 19:3;O

14-hydroxy-7Z,10Z,12E-nonadecatrienoic acid
type: Class
formula: C19H30O3
inchi: InChI=1S/C19H30O3/c1-2-3-12-15-18(20)16-13-10-8-6-4-5-7-9-11-14-17-19(21)22/h4-5,8-11,13,16,18,20H,2-3,6-7,12,14-15,17H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,16-13+
inchikey: HSVLBUXSCOSFKZ-ABDVSPRGSA-N
monoisotopicmass: 3.06219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 19:4;O

8,11,12-trihydroxy-9-heptadecenoic acid
type: Class
formula: C17H32O5
inchi: InChI=1S/C17H32O5/c1-2-3-6-10-15(19)16(20)13-12-14(18)9-7-4-5-8-11-17(21)22/h12-16,18-20H,2-11H2,1H3,(H,21,22)/b13-12+
inchikey: YSAMHTVEOVVXOT-OUKQBFOZSA-N
monoisotopicmass: 3.16224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 17:1;O3

10,11,12-trihydroxy-8Z-heptadecenoic acid
type: Class
formula: C17H32O5
inchi: InChI=1S/C17H32O5/c1-2-3-8-11-14(18)17(22)15(19)12-9-6-4-5-7-10-13-16(20)21/h9,12,14-15,17-19,22H,2-8,10-11,13H2,1H3,(H,20,21)/b12-9-
inchikey: NJYSPAZGQGWYEA-XFXZXTDPSA-N
monoisotopicmass: 3.16224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
abbrev: FA 17:1;O3

2-oxo capric acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h2-8H2,1H3,(H,12,13)
inchikey: JBFDBSZCFDASAE-UHFFFAOYSA-N
monoisotopicmass: 1.86125595E2
label: 2-oxo-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_34301
abbrev: FA 10:1;O

2-oxo-butanoic acid
type: Class
formula: C4H6O3
inchi: InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
inchikey: TYEYBOSBBBHJIV-UHFFFAOYSA-N
monoisotopicmass: 1.02031695E2
label: 3-methyl pyruvic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_30831
abbrev: FA 4:1;O

3-oxo-butanoic acid
type: Class
formula: C4H6O3
inchi: InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
inchikey: WDJHALXBUFZDSR-UHFFFAOYSA-N
monoisotopicmass: 1.02031695E2
label: Acetoacetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_15344
equivalent class: SLM_000000867
abbrev: FA 4:1;O

2-keto valeric acid
type: Class
formula: C5H8O3
inchi: InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
inchikey: KDVFRMMRZOCFLS-UHFFFAOYSA-N
monoisotopicmass: 1.16047345E2
label: 2-oxo-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_33033
abbrev: FA 5:1;O

3-keto valeric acid
type: Class
formula: C5H8O3
inchi: InChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2-3H2,1H3,(H,7,8)
inchikey: FHSUFDYFOHSYHI-UHFFFAOYSA-N
monoisotopicmass: 1.16047345E2
label: 3-oxo-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_27401
abbrev: FA 5:1;O

4-oxo-pentanoic acid
type: Class
formula: C5H8O3
inchi: InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
inchikey: JOOXCMJARBKPKM-UHFFFAOYSA-N
monoisotopicmass: 1.16047345E2
label: Levulinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_45630
abbrev: FA 5:1;O

2-keto-n-caproic acid
type: Class
formula: C6H10O3
inchi: InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)
inchikey: XNIHZNNZJHYHLC-UHFFFAOYSA-N
monoisotopicmass: 1.30062995E2
label: 2-oxo-hexanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_17308
abbrev: FA 6:1;O

3-keto-n-caproic acid
type: Class
formula: C6H10O3
inchi: InChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)
inchikey: BDCLDNALSPBWPQ-UHFFFAOYSA-N
monoisotopicmass: 1.30062995E2
label: 3-oxo-hexanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_28422
abbrev: FA 6:1;O

4-keto-n-caproic acid
type: Class
formula: C6H10O3
inchi: InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h2-4H2,1H3,(H,8,9)
inchikey: CLJBDOUIEHLLEN-UHFFFAOYSA-N
monoisotopicmass: 1.30062995E2
label: 4-oxo-hexanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180089
abbrev: FA 6:1;O

5-keto-n-caproic acid
type: Class
formula: C6H10O3
inchi: InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
inchikey: MGTZCLMLSSAXLD-UHFFFAOYSA-N
monoisotopicmass: 1.30062995E2
label: 5-oxo-hexanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_15888
abbrev: FA 6:1;O

2-Keto-n-heptylic acid
type: Class
formula: C7H12O3
inchi: InChI=1S/C7H12O3/c1-2-3-4-5-6(8)7(9)10/h2-5H2,1H3,(H,9,10)
inchikey: IDDYNNYMUPHFMO-UHFFFAOYSA-N
monoisotopicmass: 1.44078645E2
label: 2-oxo-heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179405
abbrev: FA 7:1;O

3-oxo-heptanoic acid
type: Class
formula: C7H12O3
inchi: InChI=1S/C7H12O3/c1-2-3-4-6(8)5-7(9)10/h2-5H2,1H3,(H,9,10)
inchikey: PRRBQHNMYJRHFW-UHFFFAOYSA-N
monoisotopicmass: 1.44078645E2
label: n-valeryl acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179402
abbrev: FA 7:1;O

3-butyrl propionic acid
type: Class
formula: C7H12O3
inchi: InChI=1S/C7H12O3/c1-2-3-6(8)4-5-7(9)10/h2-5H2,1H3,(H,9,10)
inchikey: ACHSNZNVVUIPJX-UHFFFAOYSA-N
monoisotopicmass: 1.44078645E2
label: 4-oxo-heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165433
abbrev: FA 7:1;O

4-propionyl butyric acid
type: Class
formula: C7H12O3
inchi: InChI=1S/C7H12O3/c1-2-6(8)4-3-5-7(9)10/h2-5H2,1H3,(H,9,10)
inchikey: PHADZMIQVBXNAW-UHFFFAOYSA-N
monoisotopicmass: 1.44078645E2
label: 5-oxo-heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179404
abbrev: FA 7:1;O

5-aceto valeric acid
type: Class
formula: C7H12O3
inchi: InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2-5H2,1H3,(H,9,10)
inchikey: IZOQMUVIDMLRDC-UHFFFAOYSA-N
monoisotopicmass: 1.44078645E2
label: 6-oxo-heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179403
abbrev: FA 7:1;O

2-keto-n-caprylic acid
type: Class
formula: C8H14O3
inchi: InChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11)
inchikey: GPPUPQFYDYLTIY-UHFFFAOYSA-N
monoisotopicmass: 1.58094295E2
label: 2-oxo-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_173668
abbrev: FA 8:1;O

3-keto-n-caprylic acid
type: Class
formula: C8H14O3
inchi: InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)
inchikey: FWNRRWJFOZIGQZ-UHFFFAOYSA-N
monoisotopicmass: 1.58094295E2
label: 3-oxo-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_44680
abbrev: FA 8:1;O

4-keto-n-caprylic acid
type: Class
formula: C8H14O3
inchi: InChI=1S/C8H14O3/c1-2-3-4-7(9)5-6-8(10)11/h2-6H2,1H3,(H,10,11)
inchikey: RITBMTJPNSJVHF-UHFFFAOYSA-N
monoisotopicmass: 1.58094295E2
label: 4-oxo-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180338
abbrev: FA 8:1;O

5-Keto-n-caprylic acid
type: Class
formula: C8H14O3
inchi: InChI=1S/C8H14O3/c1-2-4-7(9)5-3-6-8(10)11/h2-6H2,1H3,(H,10,11)
inchikey: OHGVWVVPDOAZSH-UHFFFAOYSA-N
monoisotopicmass: 1.58094295E2
label: 5-oxo-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180337
abbrev: FA 8:1;O

6-keto-n-caprylic acid
type: Class
formula: C8H14O3
inchi: InChI=1S/C8H14O3/c1-2-7(9)5-3-4-6-8(10)11/h2-6H2,1H3,(H,10,11)
inchikey: PUOYTVHCFIDKJM-UHFFFAOYSA-N
monoisotopicmass: 1.58094295E2
label: 6-oxo-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165436
abbrev: FA 8:1;O

7-keto-n-caprylic acid
type: Class
formula: C8H14O3
inchi: InChI=1S/C8H14O3/c1-7(9)5-3-2-4-6-8(10)11/h2-6H2,1H3,(H,10,11)
inchikey: OSAHCBHKCKPJGI-UHFFFAOYSA-N
monoisotopicmass: 1.58094295E2
label: 7-oxo-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180339
abbrev: FA 8:1;O

2-oxo-nonanoic acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c1-2-3-4-5-6-7-8(10)9(11)12/h2-7H2,1H3,(H,11,12)
inchikey: SHDOPXQMNJDYDK-UHFFFAOYSA-N
monoisotopicmass: 1.72109945E2
label: n-heptanoyl acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_55523
abbrev: FA 9:1;O

3-caproyl propionic acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c1-2-3-4-5-8(10)6-7-9(11)12/h2-7H2,1H3,(H,11,12)
inchikey: PRDIIROHTWNJDB-UHFFFAOYSA-N
monoisotopicmass: 1.72109945E2
label: 4-oxo-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179514
abbrev: FA 9:1;O

4-n-valeryl butyric acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c1-2-3-5-8(10)6-4-7-9(11)12/h2-7H2,1H3,(H,11,12)
inchikey: IOLZRTYKQAFXFB-UHFFFAOYSA-N
monoisotopicmass: 1.72109945E2
label: 5-oxo-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179513
abbrev: FA 9:1;O

6-oxo-nonanoic acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c1-2-5-8(10)6-3-4-7-9(11)12/h2-7H2,1H3,(H,11,12)
inchikey: NTQPWIWDPJRIPQ-UHFFFAOYSA-N
monoisotopicmass: 1.72109945E2
label: n-butyrl n-valeric acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179516
abbrev: FA 9:1;O

6-propionyl n-caproic acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c1-2-8(10)6-4-3-5-7-9(11)12/h2-7H2,1H3,(H,11,12)
inchikey: BMDUEIZQNLDNCI-UHFFFAOYSA-N
monoisotopicmass: 1.72109945E2
label: 7-oxo-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179515
abbrev: FA 9:1;O

3-oxo capric acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h2-8H2,1H3,(H,12,13)
inchikey: YXTHWTPUTHTODU-UHFFFAOYSA-N
monoisotopicmass: 1.86125595E2
label: 3-oxo-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_37157
abbrev: FA 10:1;O

4-oxo capric acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-2-3-4-5-6-9(11)7-8-10(12)13/h2-8H2,1H3,(H,12,13)
inchikey: SPUWOYCLMKSXKU-UHFFFAOYSA-N
monoisotopicmass: 1.86125595E2
label: 4-oxo-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180138
abbrev: FA 10:1;O

5-oxo capric acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h2-8H2,1H3,(H,12,13)
inchikey: SDKDCMWTAOZNGB-UHFFFAOYSA-N
monoisotopicmass: 1.86125595E2
label: 5-oxo-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180135
abbrev: FA 10:1;O

6-oxo capric acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h2-8H2,1H3,(H,12,13)
inchikey: HWBQEMISDOEBJH-UHFFFAOYSA-N
monoisotopicmass: 1.86125595E2
label: 6-oxo-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180134
abbrev: FA 10:1;O

8-oxo capric acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-2-9(11)7-5-3-4-6-8-10(12)13/h2-8H2,1H3,(H,12,13)
inchikey: WYAILBXOLHAFQM-UHFFFAOYSA-N
monoisotopicmass: 1.86125595E2
label: 8-oxo-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180137
abbrev: FA 10:1;O

9-oxo capric acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2-8H2,1H3,(H,12,13)
inchikey: BYFKKNYEIXWOQO-UHFFFAOYSA-N
monoisotopicmass: 1.86125595E2
label: 9-oxo-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180136
abbrev: FA 10:1;O

3-oxo-undecanoic acid
type: Class
formula: C11H20O3
inchi: InChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h2-9H2,1H3,(H,13,14)
inchikey: RYAXOIRSQGWHQD-UHFFFAOYSA-N
monoisotopicmass: 2.00141245E2
label: Pelargonyl acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180329
abbrev: FA 11:1;O

3-capryl propionic acid
type: Class
formula: C11H20O3
inchi: InChI=1S/C11H20O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h2-9H2,1H3,(H,13,14)
inchikey: KBWRWCSRYCKEOR-UHFFFAOYSA-N
monoisotopicmass: 2.00141245E2
label: 4-oxo-undecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180328
abbrev: FA 11:1;O

4-heptanoyl butyric acid
type: Class
formula: C11H20O3
inchi: InChI=1S/C11H20O3/c1-2-3-4-5-7-10(12)8-6-9-11(13)14/h2-9H2,1H3,(H,13,14)
inchikey: LXPXOCHGDNNXCA-UHFFFAOYSA-N
monoisotopicmass: 2.00141245E2
label: 5-oxo-undecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180331
abbrev: FA 11:1;O

8-propionyl caprylic acid
type: Class
formula: C11H20O3
inchi: InChI=1S/C11H20O3/c1-2-10(12)8-6-4-3-5-7-9-11(13)14/h2-9H2,1H3,(H,13,14)
inchikey: KUPZGNQJONLIRP-UHFFFAOYSA-N
monoisotopicmass: 2.00141245E2
label: 9-oxo-undecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180330
abbrev: FA 11:1;O

10-oxo-undecanoic acid
type: Class
formula: C11H20O3
inchi: InChI=1S/C11H20O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h2-9H2,1H3,(H,13,14)
inchikey: UKHMENMPHVRROO-UHFFFAOYSA-N
monoisotopicmass: 2.00141245E2
label: 9-acetyl pelargonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180327
abbrev: FA 11:1;O

4-keto lauric acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h2-10H2,1H3,(H,14,15)
inchikey: HJMCWLADNPBBMN-UHFFFAOYSA-N
monoisotopicmass: 2.14156895E2
label: 4-oxo-dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180013
abbrev: FA 12:1;O

9-keto lauric acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c1-2-8-11(13)9-6-4-3-5-7-10-12(14)15/h2-10H2,1H3,(H,14,15)
inchikey: RGTQITVBYIOWHV-UHFFFAOYSA-N
monoisotopicmass: 2.14156895E2
label: 9-oxo-dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180012
abbrev: FA 12:1;O

2-keto tridecanoic acid
type: Class
formula: C13H24O3
inchi: InChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h2-11H2,1H3,(H,15,16)
inchikey: ICUSPHFFJKGZCW-UHFFFAOYSA-N
monoisotopicmass: 2.28172545E2
label: 2-oxo-tridecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_138492
abbrev: FA 13:1;O

10-keto tridecanoic acid
type: Class
formula: C13H24O3
inchi: InChI=1S/C13H24O3/c1-2-9-12(14)10-7-5-3-4-6-8-11-13(15)16/h2-11H2,1H3,(H,15,16)
inchikey: YZHJFSDMZMTRPY-UHFFFAOYSA-N
monoisotopicmass: 2.28172545E2
label: 10-oxo-tridecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_185067
abbrev: FA 13:1;O

12-keto tridecanoic acid
type: Class
formula: C13H24O3
inchi: InChI=1S/C13H24O3/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h2-11H2,1H3,(H,15,16)
inchikey: NRVDTUOVKXZNCW-UHFFFAOYSA-N
monoisotopicmass: 2.28172545E2
label: 12-oxo-tridecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_185248
abbrev: FA 13:1;O

4-keto myristic acid
type: Class
formula: C14H26O3
inchi: InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-13(15)11-12-14(16)17/h2-12H2,1H3,(H,16,17)
inchikey: OUVOKRXNCJSVKU-UHFFFAOYSA-N
monoisotopicmass: 2.42188195E2
label: 4-oxo-tetradecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180093
abbrev: FA 14:1;O

10-keto myristic acid
type: Class
formula: C14H26O3
inchi: InChI=1S/C14H26O3/c1-2-3-10-13(15)11-8-6-4-5-7-9-12-14(16)17/h2-12H2,1H3,(H,16,17)
inchikey: NAIILRVCADAQBB-UHFFFAOYSA-N
monoisotopicmass: 2.42188195E2
label: 10-oxo-tetradecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180092
abbrev: FA 14:1;O

13-keto myristic acid
type: Class
formula: C14H26O3
inchi: InChI=1S/C14H26O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h2-12H2,1H3,(H,16,17)
inchikey: YPWBYMBZGDPMOZ-UHFFFAOYSA-N
monoisotopicmass: 2.42188195E2
label: 13-oxo-tetradecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180091
abbrev: FA 14:1;O

4-keto pentadecanoic acid
type: Class
formula: C15H28O3
inchi: InChI=1S/C15H28O3/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15(17)18/h2-13H2,1H3,(H,17,18)
inchikey: PFJKZQUXOYQRNT-UHFFFAOYSA-N
monoisotopicmass: 2.56203846E2
label: 4-oxo-pentadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_138494
abbrev: FA 15:1;O

11-keto pentadecanoic acid
type: Class
formula: C15H28O3
inchi: InChI=1S/C15H28O3/c1-2-3-11-14(16)12-9-7-5-4-6-8-10-13-15(17)18/h2-13H2,1H3,(H,17,18)
inchikey: UQTMRLUPIGBYIJ-UHFFFAOYSA-N
monoisotopicmass: 2.56203846E2
label: 11-oxo-pentadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180145
abbrev: FA 15:1;O

14-keto pentadecanoic acid
type: Class
formula: C15H28O3
inchi: InChI=1S/C15H28O3/c1-14(16)12-10-8-6-4-2-3-5-7-9-11-13-15(17)18/h2-13H2,1H3,(H,17,18)
inchikey: ASPRDWSVJBWGBT-UHFFFAOYSA-N
monoisotopicmass: 2.56203846E2
label: 14-oxo-pentadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_137798
abbrev: FA 15:1;O

2-keto palmitic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h2-14H2,1H3,(H,18,19)
inchikey: ZVNHILZUTNYFGT-UHFFFAOYSA-N
monoisotopicmass: 2.70219496E2
label: 2-oxo-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_86988
abbrev: FA 16:1;O

3-keto palmitic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h2-14H2,1H3,(H,18,19)
inchikey: ASICPMTWQSESKX-UHFFFAOYSA-N
monoisotopicmass: 2.70219496E2
label: 3-oxo-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_37251
abbrev: FA 16:1;O

4-keto palmitic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16(18)19/h2-14H2,1H3,(H,18,19)
inchikey: DRZROXXGLBIKCO-UHFFFAOYSA-N
monoisotopicmass: 2.70219496E2
label: 4-oxo-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_185986
abbrev: FA 16:1;O

5-keto palmitic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
inchikey: YPCLNPGINNEYIB-UHFFFAOYSA-N
monoisotopicmass: 2.70219496E2
label: 5-oxo-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_185703
abbrev: FA 16:1;O

7-keto palmitic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
inchikey: BLGIAJAFLPDOCR-UHFFFAOYSA-N
monoisotopicmass: 2.70219496E2
label: 7-oxo-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165437
abbrev: FA 16:1;O

8-keto palmitic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
inchikey: SEWAOKNHYLYQEL-UHFFFAOYSA-N
monoisotopicmass: 2.70219496E2
label: 8-oxo-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_174563
abbrev: FA 16:1;O

9-keto palmitic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
inchikey: KHCDPAZLBSPVSE-UHFFFAOYSA-N
monoisotopicmass: 2.70219496E2
label: 9-oxo-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_174564
abbrev: FA 16:1;O

10-keto palmitic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-2-3-4-9-12-15(17)13-10-7-5-6-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
inchikey: VBFPQNKLKQDSCH-UHFFFAOYSA-N
monoisotopicmass: 2.70219496E2
label: 10-oxo-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_196126
abbrev: FA 16:1;O

11-keto palmitic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
inchikey: ANQQVTWQIBPDKQ-UHFFFAOYSA-N
monoisotopicmass: 2.70219496E2
label: 11-oxo-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_174565
abbrev: FA 16:1;O

9-Keto heptadecylic acid
type: Class
formula: C17H32O3
inchi: InChI=1S/C17H32O3/c1-2-3-4-5-7-10-13-16(18)14-11-8-6-9-12-15-17(19)20/h2-15H2,1H3,(H,19,20)
inchikey: WZSITNWWIVIACY-UHFFFAOYSA-N
monoisotopicmass: 2.84235146E2
label: 9-oxo-heptadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_186910
abbrev: FA 17:1;O

15-OxoEDE
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+
inchikey: QZCMHXPXGACWLJ-QWAPPMFBSA-N
monoisotopicmass: 3.22250796E2
label: 15-oxo-11Z,13E-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_72844
abbrev: FA 20:3;O

2-oxo-propinoic acid
type: Class
formula: C3H4O3
inchi: InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
inchikey: LCTONWCANYUPML-UHFFFAOYSA-N
monoisotopicmass: 8.8016045E1
label: Pyruvic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_32816
abbrev: FA 3:1;O

10-oxo-decanoic acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h9H,1-8H2,(H,12,13)
inchikey: FYURGFQVSMALOD-UHFFFAOYSA-N
monoisotopicmass: 1.86125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_17130
abbrev: FA 10:1;O

3,6-dioxo-decanoic acid
type: Class
formula: C10H16O4
inchi: InChI=1S/C10H16O4/c1-2-3-4-8(11)5-6-9(12)7-10(13)14/h2-7H2,1H3,(H,13,14)
inchikey: AEVOBXGBFZDZTC-UHFFFAOYSA-N
monoisotopicmass: 2.0010486E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165432
abbrev: FA 10:2;O2

6,9-dioxo-decanoic acid
type: Class
formula: C10H16O4
inchi: InChI=1S/C10H16O4/c1-8(11)6-7-9(12)4-2-3-5-10(13)14/h2-7H2,1H3,(H,13,14)
inchikey: BEPSZXZHUPDOJB-UHFFFAOYSA-N
monoisotopicmass: 2.0010486E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_168776
abbrev: FA 10:2;O2

7-oxo-decanoic acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-2-6-9(11)7-4-3-5-8-10(12)13/h2-8H2,1H3,(H,12,13)
inchikey: JCWIUYOZBLWKGW-UHFFFAOYSA-N
monoisotopicmass: 1.86125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180139
abbrev: FA 10:1;O

9-oxo-2E-decenoic acid
type: Class
formula: C10H16O3
inchi: InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6+
inchikey: INJRDZMWIAYEMM-SOFGYWHQSA-N
monoisotopicmass: 1.84109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165439
abbrev: FA 10:2;O

9-oxo-2Z-decenoic acid
type: Class
formula: C10H16O3
inchi: InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6-
inchikey: INJRDZMWIAYEMM-VURMDHGXSA-N
monoisotopicmass: 1.84109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179850
abbrev: FA 10:2;O

5-oxo-7E-decenoic acid
type: Class
formula: C10H16O3
inchi: InChI=1S/C10H16O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h3-4H,2,5-8H2,1H3,(H,12,13)/b4-3+
inchikey: XDXKSZVTGHYJAD-ONEGZZNKSA-N
monoisotopicmass: 1.84109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179849
abbrev: FA 10:2;O

10-oxo-5,8-decadienoic acid
type: Class
formula: C10H14O3
inchi: InChI=1S/C10H14O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-2,5,7,9H,3-4,6,8H2,(H,12,13)/b2-1+,7-5+
inchikey: MZGVULWVGXGTIS-SMMBBOSVSA-N
monoisotopicmass: 1.82094295E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179571
abbrev: FA 10:3;O

9-oxo-2,4,5,7-decatetraenoic acid
type: Class
formula: C10H10O3
inchi: InChI=1S/C10H10O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h3-8H,1H3,(H,12,13)/b7-5+,8-6+
inchikey: WLUIOVBNENBQAH-KQQUZDAGSA-N
monoisotopicmass: 1.78062995E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_137772
abbrev: FA 10:5;O

2-oxo-undecanoic acid
type: Class
formula: C11H20O3
inchi: InChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h2-9H2,1H3,(H,13,14)
inchikey: GIBJGNIQPMQQIY-UHFFFAOYSA-N
monoisotopicmass: 2.00141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180332
abbrev: FA 11:1;O

11-oxo-dodecanoic acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-10H2,1H3,(H,14,15)
inchikey: OTELGGYNGCBJGP-UHFFFAOYSA-N
monoisotopicmass: 2.14156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180014
abbrev: FA 12:1;O

12-oxo-dodecanoic acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h11H,1-10H2,(H,14,15)
inchikey: KGEACANGAYABKT-UHFFFAOYSA-N
monoisotopicmass: 2.14156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_144066
abbrev: FA 12:1;O

2-oxo-dodecanoic acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h2-10H2,1H3,(H,14,15)
inchikey: MIMUDKBBERJQHQ-UHFFFAOYSA-N
monoisotopicmass: 2.14156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_142578
abbrev: FA 12:1;O

3-oxo-dodecanoic acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)
inchikey: DZHSPYMHDVROSM-UHFFFAOYSA-N
monoisotopicmass: 2.14156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_18037
abbrev: FA 12:1;O

9,12-dioxo-dodecanoic acid
type: Class
formula: C12H20O4
inchi: InChI=1S/C12H20O4/c13-10-6-8-11(14)7-4-2-1-3-5-9-12(15)16/h10H,1-9H2,(H,15,16)
inchikey: DRCRMCBLQUKXIB-UHFFFAOYSA-N
monoisotopicmass: 2.2813616E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165438
abbrev: FA 12:2;O2

12-oxo-10E-dodecenoic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9,11H,1-6,8,10H2,(H,14,15)/b9-7+
inchikey: INMKWUNQKOWGEZ-VQHVLOKHSA-N
monoisotopicmass: 2.12141245E2
label: Traumatin
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_19144
abbrev: FA 12:2;O

12-oxo-10Z-dodecenoic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9,11H,1-6,8,10H2,(H,14,15)/b9-7-
inchikey: INMKWUNQKOWGEZ-CLFYSBASSA-N
monoisotopicmass: 2.12141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_137712
abbrev: FA 12:2;O

12-oxo-5E,8E,10Z-dodecatrienoic acid
type: Class
formula: C12H16O3
inchi: InChI=1S/C12H16O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h2-5,7,9,11H,1,6,8,10H2,(H,14,15)/b4-2+,5-3+,9-7-
inchikey: ZRIOISYGDYRQIK-JDNZBGOLSA-N
monoisotopicmass: 2.08109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_137797
abbrev: FA 12:4;O

12-methyl-10-oxo-tridecanoic acid
type: Class
formula: C14H26O3
inchi: InChI=1S/C14H26O3/c1-12(2)11-13(15)9-7-5-3-4-6-8-10-14(16)17/h12H,3-11H2,1-2H3,(H,16,17)
inchikey: GPDNBRNVGBBFDP-UHFFFAOYSA-N
monoisotopicmass: 2.42188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165426
abbrev: FA 14:1;O

3-oxo-tridecanoic acid
type: Class
formula: C13H24O3
inchi: InChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-10-12(14)11-13(15)16/h2-11H2,1H3,(H,15,16)
inchikey: ZOPNZCDKYMGXKU-UHFFFAOYSA-N
monoisotopicmass: 2.28172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_184444
abbrev: FA 13:1;O

2-oxo-tetradecanoic acid
type: Class
formula: C14H26O3
inchi: InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h2-12H2,1H3,(H,16,17)
inchikey: QNAQCEOTTMFHDK-UHFFFAOYSA-N
monoisotopicmass: 2.42188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180094
abbrev: FA 14:1;O

3-oxo-tetradecanoic acid
type: Class
formula: C14H26O3
inchi: InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)
inchikey: XLKOZYOVXNPWGT-UHFFFAOYSA-N
monoisotopicmass: 2.42188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_37270
abbrev: FA 14:1;O

6-oxo-tetradecanoic acid
type: Class
formula: C14H26O3
inchi: InChI=1S/C14H26O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h2-12H2,1H3,(H,16,17)
inchikey: FCMLVMXRWKFUTG-UHFFFAOYSA-N
monoisotopicmass: 2.42188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_174253
abbrev: FA 14:1;O

10-oxo-14-methyl-pentadecanoic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-14(2)10-9-12-15(17)11-7-5-3-4-6-8-13-16(18)19/h14H,3-13H2,1-2H3,(H,18,19)
inchikey: ADOQXSHFCSUOKO-UHFFFAOYSA-N
monoisotopicmass: 2.70219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_196128
abbrev: FA 16:1;O

2-oxo-pentadecanoic acid
type: Class
formula: C15H28O3
inchi: InChI=1S/C15H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h2-13H2,1H3,(H,17,18)
inchikey: AHYSGMPLGXUBBV-UHFFFAOYSA-N
monoisotopicmass: 2.56203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180146
abbrev: FA 15:1;O

3-oxo-pentadecanoic acid
type: Class
formula: C15H28O3
inchi: InChI=1S/C15H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h2-13H2,1H3,(H,17,18)
inchikey: CJTNJZWHYGHVCD-UHFFFAOYSA-N
monoisotopicmass: 2.56203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 15:1;O

2-methyl-4-oxo-pentadecanoic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-14(2)16(18)19/h14H,3-13H2,1-2H3,(H,18,19)
inchikey: GVHVXECTVZRTNB-UHFFFAOYSA-N
monoisotopicmass: 2.70219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_196127
abbrev: FA 16:1;O

15-oxo-hexadecanoic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h2-14H2,1H3,(H,18,19)
inchikey: VYBHMKBVKZAKHB-UHFFFAOYSA-N
monoisotopicmass: 2.70219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_184157
abbrev: FA 16:1;O

16-oxo-heptadecanoic acid
type: Class
formula: C17H32O3
inchi: InChI=1S/C17H32O3/c1-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17(19)20/h2-15H2,1H3,(H,19,20)
inchikey: APFVJHNDSBIJTB-UHFFFAOYSA-N
monoisotopicmass: 2.84235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165427
abbrev: FA 17:1;O

2-oxo-heptadecanoic acid
type: Class
formula: C17H32O3
inchi: InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20/h2-15H2,1H3,(H,19,20)
inchikey: QPDMNFFZLIUVIV-UHFFFAOYSA-N
monoisotopicmass: 2.84235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_188013
abbrev: FA 17:1;O

3-oxo-heptadecanoic acid
type: Class
formula: C17H32O3
inchi: InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h2-15H2,1H3,(H,19,20)
inchikey: YJFOWGUVQLQGRL-UHFFFAOYSA-N
monoisotopicmass: 2.84235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_188037
abbrev: FA 17:1;O

12-oxo-5E,8E,10Z-heptadecatrienoic acid
type: Class
formula: C17H26O3
inchi: InChI=1S/C17H26O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5+,8-6+,14-11-
inchikey: BEHRKNVAYQNKGG-XTYDYNBASA-N
monoisotopicmass: 2.78188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_173189
abbrev: FA 17:4;O

10-oxo-nonadecanoic acid
type: Class
formula: C19H36O3
inchi: InChI=1S/C19H36O3/c1-2-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19(21)22/h2-17H2,1H3,(H,21,22)
inchikey: PEBIXVCZWGYSTN-UHFFFAOYSA-N
monoisotopicmass: 3.12266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_138422
abbrev: FA 19:1;O

18-oxo-nonadecanoic acid
type: Class
formula: C19H36O3
inchi: InChI=1S/C19H36O3/c1-18(20)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19(21)22/h2-17H2,1H3,(H,21,22)
inchikey: ZNFQHZMNVKPFIZ-UHFFFAOYSA-N
monoisotopicmass: 3.12266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165429
abbrev: FA 19:1;O

2-oxo-nonadecanoic acid
type: Class
formula: C19H36O3
inchi: InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h2-17H2,1H3,(H,21,22)
inchikey: GLFSTVQYXPOBGJ-UHFFFAOYSA-N
monoisotopicmass: 3.12266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_176713
abbrev: FA 19:1;O

3-oxo-nonadecanoic acid
type: Class
formula: C19H36O3
inchi: InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22/h2-17H2,1H3,(H,21,22)
inchikey: SFGWEVNROKIRBY-UHFFFAOYSA-N
monoisotopicmass: 3.12266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165434
abbrev: FA 19:1;O

19-oxo-eicosanoic acid
type: Class
formula: C20H38O3
inchi: InChI=1S/C20H38O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h2-18H2,1H3,(H,22,23)
inchikey: HFBZWKDJHBQKOO-UHFFFAOYSA-N
monoisotopicmass: 3.26282096E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_183563
abbrev: FA 20:1;O

2-oxo-eicosanoic acid
type: Class
formula: C20H38O3
inchi: InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h2-18H2,1H3,(H,22,23)
inchikey: PQDRWMYDXMMMBP-UHFFFAOYSA-N
monoisotopicmass: 3.26282096E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 20:1;O

3-oxo-eicosanoic acid
type: Class
formula: C20H38O3
inchi: InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h2-18H2,1H3,(H,22,23)
inchikey: MZPZMTFDSVTILM-UHFFFAOYSA-N
monoisotopicmass: 3.26282096E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_52350
abbrev: FA 20:1;O

2-oxo-heneicosanoic acid
type: Class
formula: C21H40O3
inchi: InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(23)24/h2-19H2,1H3,(H,23,24)
inchikey: RNIWLIHFOSDVEB-UHFFFAOYSA-N
monoisotopicmass: 3.40297746E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_137229
abbrev: FA 21:1;O

20-oxo-heneicosanoic acid
type: Class
formula: C21H40O3
inchi: InChI=1S/C21H40O3/c1-20(22)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21(23)24/h2-19H2,1H3,(H,23,24)
inchikey: MAGPQMMJCMNJQT-UHFFFAOYSA-N
monoisotopicmass: 3.40297746E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165430
abbrev: FA 21:1;O

3-oxo-heneicosanoic acid
type: Class
formula: C21H40O3
inchi: InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21(23)24/h2-19H2,1H3,(H,23,24)
inchikey: HIOTZLCGSPKFPF-UHFFFAOYSA-N
monoisotopicmass: 3.40297746E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_187419
abbrev: FA 21:1;O

5-oxo-heneicosanoic acid
type: Class
formula: C21H40O3
inchi: InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-16-19-21(23)24/h2-19H2,1H3,(H,23,24)
inchikey: RHPGVYZZXIMNOE-UHFFFAOYSA-N
monoisotopicmass: 3.40297746E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165435
abbrev: FA 21:1;O

10-oxo-docosanoic acid
type: Class
formula: C22H42O3
inchi: InChI=1S/C22H42O3/c1-2-3-4-5-6-7-8-9-12-15-18-21(23)19-16-13-10-11-14-17-20-22(24)25/h2-20H2,1H3,(H,24,25)
inchikey: NRNVQOWXYJTJKK-UHFFFAOYSA-N
monoisotopicmass: 3.54313396E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/104
equivalent class: CHEBI_169220
abbrev: FA 22:1;O

2-oxo-docosanoic acid
type: Class
formula: C22H42O3
inchikey: NDYMYSCKMCQILW-UHFFFAOYSA-N
monoisotopicmass: 3.54313396E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/104
abbrev: FA 22:1;O

21-oxo-docosanoic acid
type: Class
formula: C22H42O3
inchi: InChI=1S/C22H42O3/c1-21(23)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22(24)25/h2-20H2,1H3,(H,24,25)
inchikey: BODATZSSGBZDGB-UHFFFAOYSA-N
monoisotopicmass: 3.54313396E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/104
equivalent class: CHEBI_183555
abbrev: FA 22:1;O

3-oxo-docosanoic acid
type: Class
formula: C22H42O3
inchi: InChI=1S/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25/h2-20H2,1H3,(H,24,25)
inchikey: GLJSCOCOXZOMDN-UHFFFAOYSA-N
monoisotopicmass: 3.54313396E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/104
equivalent class: CHEBI_52351
abbrev: FA 22:1;O

4-oxo-docosanoic acid
type: Class
formula: C22H42O3
inchi: InChI=1S/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h2-20H2,1H3,(H,24,25)
inchikey: HZKNWRQSWZMFSK-UHFFFAOYSA-N
monoisotopicmass: 3.54313396E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/104
equivalent class: CHEBI_169176
abbrev: FA 22:1;O

2-oxo-tricosanoic acid
type: Class
formula: C23H44O3
inchikey: MJYNGVHWLRDRHF-UHFFFAOYSA-N
monoisotopicmass: 3.68329046E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 23:1;O

22-oxo-tricosanoic acid
type: Class
formula: C23H44O3
inchi: InChI=1S/C23H44O3/c1-22(24)20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23(25)26/h2-21H2,1H3,(H,25,26)
inchikey: DWIGCHXTZQHDFF-UHFFFAOYSA-N
monoisotopicmass: 3.68329046E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 23:1;O

3-oxo-tricosanoic acid
type: Class
formula: C23H44O3
inchikey: RZIUVAXYOUCFAV-UHFFFAOYSA-N
monoisotopicmass: 3.68329046E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 23:1;O

3-oxo-tetracosanoic acid
type: Class
formula: C24H46O3
inchikey: LTCWTQLFMAJHBA-UHFFFAOYSA-N
monoisotopicmass: 3.82344696E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_52352
abbrev: FA 24:1;O

15-oxo-18Z-tetracosenoic acid
type: Class
formula: C24H44O3
inchi: InChI=1S/C24H44O3/c1-2-3-4-5-11-14-17-20-23(25)21-18-15-12-9-7-6-8-10-13-16-19-22-24(26)27/h11,14H,2-10,12-13,15-22H2,1H3,(H,26,27)/b14-11-
inchikey: HPTANBPJENHABK-KAMYIIQDSA-N
monoisotopicmass: 3.80329046E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_169668
abbrev: FA 24:2;O

17-oxo-20Z-hexacosenoic acid
type: Class
formula: C26H48O3
inchi: InChI=1S/C26H48O3/c1-2-3-4-5-13-16-19-22-25(27)23-20-17-14-11-9-7-6-8-10-12-15-18-21-24-26(28)29/h13,16H,2-12,14-15,17-24H2,1H3,(H,28,29)/b16-13-
inchikey: KBDNHCBOCXMQNL-SSZFMOIBSA-N
monoisotopicmass: 4.08360346E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_165428
abbrev: FA 26:2;O

19-oxo-22Z-octacosenoic acid
type: Class
formula: C28H52O3
inchi: InChI=1S/C28H52O3/c1-2-3-4-5-15-18-21-24-27(29)25-22-19-16-13-11-9-7-6-8-10-12-14-17-20-23-26-28(30)31/h15,18H,2-14,16-17,19-26H2,1H3,(H,30,31)/b18-15-
inchikey: GOCLYOCYRBWKOT-SDXDJHTJSA-N
monoisotopicmass: 4.36391646E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 28:2;O

7-methyl-4-oxo-octanoic acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c1-7(2)3-4-8(10)5-6-9(11)12/h7H,3-6H2,1-2H3,(H,11,12)
inchikey: MANRVFOEUWHBMD-UHFFFAOYSA-N
monoisotopicmass: 1.72109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179518
abbrev: FA 9:1;O

4,7-dioxo-octanoic acid
type: Class
formula: C8H12O4
inchi: InChI=1S/C8H12O4/c1-6(9)2-3-7(10)4-5-8(11)12/h2-5H2,1H3,(H,11,12)
inchikey: PTSAPRTVUVUNGB-UHFFFAOYSA-N
monoisotopicmass: 1.7207356E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_73742
abbrev: FA 8:2;O2

7-methyl-6-oxo-octanoic acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c1-7(2)8(10)5-3-4-6-9(11)12/h7H,3-6H2,1-2H3,(H,11,12)
inchikey: OCTWQXZMIOXBML-UHFFFAOYSA-N
monoisotopicmass: 1.72109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179520
abbrev: FA 9:1;O

3-oxo-nonanoic acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c1-2-3-4-5-6-8(10)7-9(11)12/h2-7H2,1H3,(H,11,12)
inchikey: KWMWMKVIKIREFA-UHFFFAOYSA-N
monoisotopicmass: 1.72109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179519
abbrev: FA 9:1;O

8-oxo-nonanoic acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c1-8(10)6-4-2-3-5-7-9(11)12/h2-7H2,1H3,(H,11,12)
inchikey: KNPGTJGXMGNBAY-UHFFFAOYSA-N
monoisotopicmass: 1.72109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_179517
abbrev: FA 9:1;O

9-oxo-nonanoic acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)
inchikey: WLGDDELKYAWBBL-UHFFFAOYSA-N
monoisotopicmass: 1.72109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_78700
equivalent class: SLM_000389547
abbrev: FA 9:1;O

5-oxo-pentanoic acid
type: Class
formula: C5H8O3
inchi: InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)
inchikey: VBKPPDYGFUZOAJ-UHFFFAOYSA-N
monoisotopicmass: 1.16047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_39153
equivalent class: SLM_000000897
abbrev: FA 5:1;O

5-oxo-7-octenoic acid
type: Class
formula: C8H12O3
inchi: InChI=1S/C8H12O3/c1-2-4-7(9)5-3-6-8(10)11/h2H,1,3-6H2,(H,10,11)
inchikey: HWLHBDCASWFKNP-UHFFFAOYSA-N
monoisotopicmass: 1.56078645E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_138495
abbrev: FA 8:2;O

3-oxo-4-pentenoic acid
type: Class
formula: C5H6O3
inchi: InChI=1S/C5H6O3/c1-2-4(6)3-5(7)8/h2H,1,3H2,(H,7,8)
inchikey: KSSFGJUSMXZBDD-UHFFFAOYSA-N
monoisotopicmass: 1.14031695E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_137761
abbrev: FA 5:2;O

12-oxo-9Z-dodecenoic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,11H,1-4,6,8-10H2,(H,14,15)/b7-5-
inchikey: KIHXTOVLSZRTHJ-ALCCZGGFSA-N
monoisotopicmass: 2.12141245E2
label: 9Z-traumatiin
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_19143
abbrev: FA 12:2;O

7-oxo-8-amino-nonanoic acid
type: Class
formula: C9H17NO3
inchi: InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)
inchikey: GUAHPAJOXVYFON-UHFFFAOYSA-N
monoisotopicmass: 1.87120844E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_57532

2-oxo-5-amino-pentanoic acid
type: Class
formula: C5H9NO3
inchi: InChI=1S/C5H9NO3/c6-3-1-2-4(7)5(8)9/h1-3,6H2,(H,8,9)
inchikey: BWHGMFYTDQEALD-UHFFFAOYSA-N
monoisotopicmass: 1.31058244E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_49268

2-oxo-4-methylthio-butanoic acid
type: Class
formula: C5H8O3S
inchi: InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
inchikey: SXFSQZDSUWACKX-UHFFFAOYSA-N
monoisotopicmass: 1.48019416E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10113
equivalent class: CHEBI_33574

2-amino-4-oxo-pentanoic acid
type: Class
formula: C5H9NO3
inchi: InChI=1S/C5H9NO3/c1-3(7)2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
inchikey: QUCHWTCTBHQQDU-BYPYZUCNSA-N
monoisotopicmass: 1.31058244E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10110

2S-amino-3-oxo-butanoic acid
type: Class
formula: C4H7NO3
inchi: InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1
inchikey: SAUCHDKDCUROAO-VKHMYHEASA-N
monoisotopicmass: 1.17042594E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_40673

3-oxo-5S-amino-hexanoic acid
type: Class
formula: C6H11NO3
inchi: InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
inchikey: FAASBXNEOGMQHS-BYPYZUCNSA-N
monoisotopicmass: 1.45073894E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_27713

2-Oxo-4E-hexenoic acid
type: Class
formula: C6H8O3
inchi: InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-3H,4H2,1H3,(H,8,9)/b3-2+
inchikey: XGNKMQBCAVIQOR-NSCUHMNNSA-N
monoisotopicmass: 1.28047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_28998
abbrev: FA 6:2;O

2-amino-8-oxo-9,10-epoxy-decanoic acid
type: Class
formula: C10H17NO4
inchi: InChI=1S/C10H17NO4/c11-7(10(13)14)4-2-1-3-5-8(12)9-6-15-9/h7,9H,1-6,11H2,(H,13,14)/t7-,9?/m1/s1
inchikey: PFDHVDFPTKSEKN-YOXFSPIKSA-N
monoisotopicmass: 2.15115759E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_165431

7-methyl-3-oxooctanoic acid
type: Class
formula: C9H16O3
inchi: InChI=1S/C9H16O3/c1-7(2)4-3-5-8(10)6-9(11)12/h7H,3-6H2,1-2H3,(H,11,12)
inchikey: HMJVYQBHXHOGRX-UHFFFAOYSA-N
monoisotopicmass: 1.72109945E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_37107
abbrev: FA 9:1;O

(3R)-3-isopropenyl-6-oxoheptanoic acid
type: Class
formula: C10H16O3
inchi: InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/t9-/m1/s1
inchikey: NJOIWWRMLFSDTM-SECBINFHSA-N
monoisotopicmass: 1.84109945E2
label: 6-oxo-3R-(prop-1-en-2-yl)heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_37287
abbrev: FA 10:2;O

(3S)-3-isopropenyl-6-oxoheptanoic acid
type: Class
formula: C10H16O3
inchi: InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/t9-/m0/s1
inchikey: NJOIWWRMLFSDTM-VIFPVBQESA-N
monoisotopicmass: 1.84109945E2
label: 6-oxo-3S-(prop-1-en-2-yl)heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_37291
abbrev: FA 10:2;O

3-oxohexacosanoic acid
type: Class
formula: C26H50O3
inchikey: PJQXMTFEXFYZCU-UHFFFAOYSA-N
monoisotopicmass: 4.10375996E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_52421
abbrev: FA 26:1;O

7-oxo-11-Dodecenoic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c1-2-3-5-8-11(13)9-6-4-7-10-12(14)15/h2H,1,3-10H2,(H,14,15)
inchikey: CDSFEDLMFNBDBT-UHFFFAOYSA-N
monoisotopicmass: 2.12141245E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_176968
abbrev: FA 12:2;O

5-Oxododecanoic acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c1-2-3-4-5-6-8-11(13)9-7-10-12(14)15/h2-10H2,1H3,(H,14,15)
inchikey: WTQMFERWXACENH-UHFFFAOYSA-N
monoisotopicmass: 2.14156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180015
abbrev: FA 12:1;O

7-Oxododecanoic acid
type: Class
formula: C12H22O3
inchi: InChI=1S/C12H22O3/c1-2-3-5-8-11(13)9-6-4-7-10-12(14)15/h2-10H2,1H3,(H,14,15)
inchikey: UYRLZDDBOQZTSR-UHFFFAOYSA-N
monoisotopicmass: 2.14156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180016
abbrev: FA 12:1;O

7-oxo-11E,13-Tetradecadienoic acid
type: Class
formula: C14H22O3
inchi: InChI=1S/C14H22O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h2-4H,1,5-12H2,(H,16,17)/b4-3+
inchikey: UXENOYDVEDGVDV-ONEGZZNKSA-N
monoisotopicmass: 2.38156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_168724
abbrev: FA 14:3;O

7-oxo-11E-Tetradecenoic acid
type: Class
formula: C14H24O3
inchi: InChI=1S/C14H24O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h3-4H,2,5-12H2,1H3,(H,16,17)/b4-3+
inchikey: WPGZVCKWXQHYGF-ONEGZZNKSA-N
monoisotopicmass: 2.40172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_169067
abbrev: FA 14:2;O

7-oxo-11Z-Tetradecenoic acid
type: Class
formula: C14H24O3
inchi: InChI=1S/C14H24O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h3-4H,2,5-12H2,1H3,(H,16,17)/b4-3-
inchikey: WPGZVCKWXQHYGF-ARJAWSKDSA-N
monoisotopicmass: 2.40172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_184199
abbrev: FA 14:2;O

7-Oxotetradecanoic acid
type: Class
formula: C14H26O3
inchi: InChI=1S/C14H26O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h2-12H2,1H3,(H,16,17)
inchikey: CDYSHNKYPKNGES-UHFFFAOYSA-N
monoisotopicmass: 2.42188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_180095
abbrev: FA 14:1;O

(S)-Methylmalonic acid semialdehyde
type: Class
formula: C4H6O3
inchi: InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/t3-/m0/s1
inchikey: VOKUMXABRRXHAR-VKHMYHEASA-N
monoisotopicmass: 1.02031695E2
label: 2S-methyl-3-oxo-propanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_27821
abbrev: FA 4:1;O

2-amino-6-oxo-2,4-hexadienoic acid
type: Class
formula: C6H7NO3
inchi: InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1-,5-3+
inchikey: QCGTZPZKJPTAEP-REDYYMJGSA-N
monoisotopicmass: 1.41042594E2
label: 2-aminomuconic acid semialdehyde
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_15745

2-methyl-3-oxo-pentanoic acid
type: Class
formula: C5H8O3
inchi: InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)
inchikey: GCXJINGJZAOJHR-UHFFFAOYSA-N
monoisotopicmass: 1.16047345E2
label: 2methyl-3-ketovaleric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_37079
abbrev: FA 5:1;O

2-methyl-3-oxo-propanoic acid
type: Class
formula: C4H6O3
inchi: InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)
inchikey: VOKUMXABRRXHAR-UHFFFAOYSA-N
monoisotopicmass: 1.02031695E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_16256
abbrev: FA 4:1;O

2-oxo-3,4,4-trihydroxy-3E-butenoic acid
type: Class
formula: C4H4O6
inchi: InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5,7-8H,(H,9,10)
inchikey: KAPRQAPANAEVOD-UHFFFAOYSA-N
monoisotopicmass: 1.4800079E2
label: dihydroxy-fumaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 4:2;O4

2,3-dioxo-4R,5S,6-trihydroxy-hexanoic acid
type: Class
formula: C6H8O7
inchi: InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1
inchikey: GJQWCDSAOUMKSE-STHAYSLISA-N
monoisotopicmass: 1.92027005E2
label: diketo-gulonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_15622
abbrev: FA 6:2;O5

2-oxo-5,8,12-trihydroxy-dodecanoic acid
type: Class
formula: C12H22O6
inchi: InChI=1S/C12H22O6/c13-8-2-1-3-9(14)4-5-10(15)6-7-11(16)12(17)18/h9-10,13-15H,1-8H2,(H,17,18)
inchikey: OPPXDBWFRYVXHW-UHFFFAOYSA-N
monoisotopicmass: 2.6214164E2
label: Phaseolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 12:1;O4

13-Oxo-9Z-octadecenoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9H,2-6,8,10-16H2,1H3,(H,20,21)/b9-7-
inchikey: LDYZTLZOFONHNA-CLFYSBASSA-N
monoisotopicmass: 2.96235146E2
label: 13-keto-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:2;O

13-Oxo-9,11-tridecadienoic acid
type: Class
formula: C13H20O3
inchi: InChI=1S/C13H20O3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h4,6,8,10,12H,1-3,5,7,9,11H2,(H,15,16)/b6-4+,10-8+
inchikey: XHDHWGKEDVWKAN-ONNLMXTPSA-N
monoisotopicmass: 2.24141245E2
label: 13-oxo-9E,11E-tridecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_169546
abbrev: FA 13:3;O

(2S,3R,4R,6E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
type: Class
formula: C21H39NO6
inchi: InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1
inchikey: ZZIKIHCNFWXKDY-GNTQXERDSA-N
monoisotopicmass: 4.01277739E2
label: myriocin
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/40108
equivalent class: CHEBI_582124

11-keto-Octacosanoic acid
type: Class
formula: C28H54O3
inchi: InChI=1S/C28H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27(29)25-22-19-16-14-17-20-23-26-28(30)31/h2-26H2,1H3,(H,30,31)
inchikey: AKDNCHSRFCFLGP-UHFFFAOYSA-N
monoisotopicmass: 4.38407296E2
label: 11-oxo-Octacosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_187663
abbrev: FA 28:1;O

11-Oxoceromelissic acid
type: Class
formula: C33H64O3
inchikey: BFXCMQPAQTUXOM-UHFFFAOYSA-N
monoisotopicmass: 5.08485546E2
label: 11-Oxotritriacontanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 33:1;O

2-heptyl-10-oxo-11E-nonadecenoic acid
type: Class
formula: C26H48O3
inchi: InChI=1S/C26H48O3/c1-3-5-7-9-10-14-18-22-25(27)23-19-15-11-13-17-21-24(26(28)29)20-16-12-8-6-4-2/h18,22,24H,3-17,19-21,23H2,1-2H3,(H,28,29)/b22-18+
inchikey: MZFOIBHOHIMICN-RELWKKBWSA-N
monoisotopicmass: 4.08360346E2
label: Ficulinic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 26:2;O

2-heptyl-12-oxo-13E-heneicosenoic acid
type: Class
formula: C28H52O3
inchi: InChI=1S/C28H52O3/c1-3-5-7-9-11-16-20-24-27(29)25-21-17-13-10-12-15-19-23-26(28(30)31)22-18-14-8-6-4-2/h20,24,26H,3-19,21-23,25H2,1-2H3,(H,30,31)/b24-20+
inchikey: LMKTZOYZOYTOMH-HIXSDJFHSA-N
monoisotopicmass: 4.36391646E2
label: Ficulinic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 28:2;O

9-Ketooctacosanoic acid
type: Class
formula: C28H54O3
inchi: InChI=1S/C28H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-27(29)25-22-19-17-20-23-26-28(30)31/h2-26H2,1H3,(H,30,31)
inchikey: JMIGCFVTGQGONA-UHFFFAOYSA-N
monoisotopicmass: 4.38407296E2
label: 9-oxo-Octacosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 28:1;O

2-keto-3-hydroxyoctadecanoic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h16,19H,2-15H2,1H3,(H,21,22)
inchikey: MYKUSIWXHVLDRP-UHFFFAOYSA-N
monoisotopicmass: 3.14245711E2
label: 2-oxo-3-hydroxyoctadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:1;O2

8-Oxo-10,12-octadecadiynoic acid
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2-5,9-10,12-16H2,1H3,(H,20,21)
inchikey: ROWUUKHITMKKTC-UHFFFAOYSA-N
monoisotopicmass: 2.90188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187750
abbrev: FA 18:5;O

8-oxo-17-Octadecene-9,11-diynoic acid
type: Class
formula: C18H24O3
inchi: InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2H,1,3-6,9-10,12-13,15-16H2,(H,20,21)
inchikey: SSLASXCMMXZERF-UHFFFAOYSA-N
monoisotopicmass: 2.88172545E2
label: Ketoisanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_197078
abbrev: FA 18:6;O

7-Formylheptanoic acid
type: Class
formula: C8H14O3
inchi: InChI=1S/C8H14O3/c9-7-5-3-1-2-4-6-8(10)11/h7H,1-6H2,(H,10,11)
inchikey: UEXYJHLCLUYOFA-UHFFFAOYSA-N
monoisotopicmass: 1.58094295E2
label: 8-oxo-Octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 8:1;O

9-Hydroxy-10-ketooctadecanoic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h17,20H,2-15H2,1H3,(H,21,22)
inchikey: VDWGDORPPCKMFR-UHFFFAOYSA-N
monoisotopicmass: 3.14245711E2
label: 9-Hydroxy-10-oxooctadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:1;O2

7-keto-11-Octadecenoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-11-14-17(19)15-12-10-13-16-18(20)21/h7-8H,2-6,9-16H2,1H3,(H,20,21)/b8-7-
inchikey: VWEWTQPRFPEQEU-FPLPWBNLSA-N
monoisotopicmass: 2.96235146E2
label: 7-oxo-11-Octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:2;O

(7E,9E,15E)-heptadeca-7,9,15-trien-11,13-diyn-4-one
type: Class
formula: C17H20O
inchi: InChI=1S/C17H20O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2/h3,5,10-13H,4,14-16H2,1-2H3/b5-3+,11-10+,13-12+
inchikey: JRTSGUNUURZHCS-LEKYDIDXSA-N
monoisotopicmass: 2.40151415E2
label: Heptadeca-7E,9E,15E-trien-11,13-diyn-4-one
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 17:7;O

(9E,15E)-heptadec-9,15-trien-11,13-diyn-4-one
type: Class
formula: C17H22O
inchi: InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2/h3,5,10-11H,4,12-16H2,1-2H3/b5-3+,11-10+
inchikey: IIFDEYOLAIRRBS-SALZOXGJSA-N
monoisotopicmass: 2.42167065E2
label: Heptadec-9E,15E-trien-11,13-diyn-4-one
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_187023
abbrev: FA 17:6;O

(4E,10E,12E)-nonadec-4,10,12-trien-6,8-diyn-2-one
type: Class
formula: C19H24O
inchi: InChI=1S/C19H24O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h8-11,16-17H,3-7,18H2,1-2H3/b9-8+,11-10+,17-16+
inchikey: UAWPWLCVYGIHJZ-LXIBMNCBSA-N
monoisotopicmass: 2.68182715E2
label: Nonadec-4E,10E,12E-trien-6,8-diyn-2-one
subclass of: https://www.lipidmaps.org/rdf/category/112

11-oxo-undeca-(5Z,8Z)-dienoic acid
type: Class
formula: C11H16O3
inchi: InChI=1S/C11H16O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1,3-4,6,10H,2,5,7-9H2,(H,13,14)/b3-1-,6-4-
inchikey: KPKKCUVOGCYKCP-OVYZBVKCSA-N
monoisotopicmass: 1.96109945E2
label: 11-oxo-undeca-5,8-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_186808
abbrev: FA 11:3;O

11-oxo-undeca-(5Z,9E)-dienoic acid
type: Class
formula: C11H16O3
inchi: InChI=1S/C11H16O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1,3,6,8,10H,2,4-5,7,9H2,(H,13,14)/b3-1-,8-6+
inchikey: LPCLISDRKJOFGY-CJXSKEFVSA-N
monoisotopicmass: 1.96109945E2
label: 11-oxo-undeca-5,9-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_186322
abbrev: FA 11:3;O

12-oxo-dodeca-(5Z,8Z,10E)-trienoic acid
type: Class
formula: C12H16O3
inchi: InChI=1S/C12H16O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h2-5,7,9,11H,1,6,8,10H2,(H,14,15)/b4-2-,5-3-,9-7+
inchikey: ZRIOISYGDYRQIK-RHYRGYLPSA-N
monoisotopicmass: 2.08109945E2
label: 12-oxo-dodeca-5,8,10-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_193314
abbrev: FA 12:4;O

10-oxo-11E-octadecenoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h11,14H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+
inchikey: SBQFPIFSENQOQP-SDNWHVSQSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 18:2;O

11-oxo-14-nonacosenoic acid
type: Class
formula: C29H54O3
inchi: InChI=1S/C29H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-25-28(30)26-23-20-17-15-18-21-24-27-29(31)32/h16,19H,2-15,17-18,20-27H2,1H3,(H,31,32)
inchikey: BSDRFFLTAKTFLT-UHFFFAOYSA-N
monoisotopicmass: 4.50407296E2
label: Nuciferoic Acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 29:2;O

(S)-(10E,12E)-14- hydroxy-9-oxo-10,12-octadecadienoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-11-16(19)13-9-10-14-17(20)12-7-5-4-6-8-15-18(21)22/h9-10,13-14,16,19H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+/t16-/m0/s1
inchikey: GDCBVHSUEZTUIW-NRJQCZOGSA-N
monoisotopicmass: 3.10214411E2
label: Porrigenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
equivalent class: CHEBI_66776
abbrev: FA 18:3;O2

(E)-7,9-diene-11-carbonyl stearic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h6,9,12,15H,2-5,7-8,10-11,13-14,16H2,1H3,(H,20,21)/b9-6+,15-12+
inchikey: DTNGNOOCSCWFAY-LQAKELLUSA-N
monoisotopicmass: 2.94219496E2
label: 11-oxo-(7E,9E)-octdecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 18:3;O

9-oxo-7E-hexadecenoic acid
type: Class
formula: C16H28O3
inchi: InChI=1S/C16H28O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h10,13H,2-9,11-12,14H2,1H3,(H,18,19)/b13-10+
inchikey: HPFYZBFCKCJWJR-JLHYYAGUSA-N
monoisotopicmass: 2.68203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 16:2;O

4-oxo-2E-nonenoic acid
type: Class
formula: C9H14O3
inchi: InChI=1S/C9H14O3/c1-2-3-4-5-8(10)6-7-9(11)12/h6-7H,2-5H2,1H3,(H,11,12)/b7-6+
inchikey: QHYBPAALYZNWPK-VOTSOKGWSA-N
monoisotopicmass: 1.70094295E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 9:2;O

4-oxo-2E,15-hexadecendioic acid
type: Class
formula: C16H26O3
inchi: InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16(18)19/h2,13-14H,1,3-12H2,(H,18,19)/b14-13+
inchikey: FVNVZUDUUWRXLM-BUHFOSPRSA-N
monoisotopicmass: 2.66188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 16:3;O

4-oxo-2E-hexadecenoic acid
type: Class
formula: C16H28O3
inchi: InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16(18)19/h13-14H,2-12H2,1H3,(H,18,19)/b14-13+
inchikey: SWMQZEIJDYTILH-BUHFOSPRSA-N
monoisotopicmass: 2.68203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 16:2;O

Macaene
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h5-6,8,11H,2-4,7,9-10,12-16H2,1H3,(H,20,21)/b6-5-,11-8-
inchikey: VGLABFRUPBCSOM-VRULOHATSA-N
monoisotopicmass: 2.94219496E2
label: N-(9-oxo-10Z,12Z)-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 18:3;O

6-oxo-4E-octadecenoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h12,15H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+
inchikey: HBQAEEXTJXZQPO-NTCAYCPXSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 18:2;O

5-oxo-8-methy-nonanoic acid
type: Class
formula: C10H18O3
inchi: InChI=1S/C10H18O3/c1-8(2)6-7-9(11)4-3-5-10(12)13/h8H,3-7H2,1-2H3,(H,12,13)
inchikey: CVTYGALEXWGUJW-UHFFFAOYSA-N
monoisotopicmass: 1.86125595E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 10:1;O

27-Oxooctacosanoic acid
type: Class
formula: C28H54O3
inchi: InChI=1S/C28H54O3/c1-27(29)25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h2-26H2,1H3,(H,30,31)
inchikey: HAAQMOLIPYBWGD-UHFFFAOYSA-N
monoisotopicmass: 4.38407296E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 28:1;O

29-Oxotriacontanoic acid
type: Class
formula: C30H58O3
inchi: InChI=1S/C30H58O3/c1-29(31)27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30(32)33/h2-28H2,1H3,(H,32,33)
inchikey: HSUWQNKUMNAPQN-UHFFFAOYSA-N
monoisotopicmass: 4.66438596E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 30:1;O

9-oxohexadeca-10E-enoic acid
type: Class
formula: C16H28O3
inchi: InChI=1S/C16H28O3/c1-2-3-4-6-9-12-15(17)13-10-7-5-8-11-14-16(18)19/h9,12H,2-8,10-11,13-14H2,1H3,(H,18,19)/b12-9+
inchikey: UNUKMHHAQBXDMO-FMIVXFBMSA-N
monoisotopicmass: 2.68203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 16:2;O

6-oxo-2E,4E-decadienoic acid
type: Class
formula: C10H14O3
inchi: InChI=1S/C10H14O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)/b7-4+,8-5+
inchikey: VRLKPTNCXGUVII-NSLJXJERSA-N
monoisotopicmass: 1.82094295E2
label: Lycocasuarinen acid A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 10:3;O

6-oxo-2E,4E-dodecadienoic acid
type: Class
formula: C12H16O3
inchi: InChI=1S/C12H16O3/c1-2-3-4-5-8-11(13)9-6-7-10-12(14)15/h4-7,9-10H,2-3,8H2,1H3,(H,14,15)/b5-4+,9-6+,10-7+
inchikey: XIGPNOYQSILRRJ-CQBMMRDZSA-N
monoisotopicmass: 2.08109945E2
label: Lycocasuarinen acid D
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 12:4;O

3-Hydroxy-24-methyl-25-oxo-5E,7Z,9E,11E,13E,15E,17E,19Z,21E,23E-hexacosadecaenoic acid
type: Class
formula: C27H32O4
inchikey: KTAMMGIWIFDREV-SLHRBXMBSA-N
monoisotopicmass: 4.20230061E2
label: 7-cis-Laetiporic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 27:11;O2

3-Hydroxy-24-methyl-25-oxo-5E,7E,9E,11E,13E,15E,17E,19Z,21E,23E-hexacosadecaenoic acid
type: Class
formula: C27H32O4
inchikey: KTAMMGIWIFDREV-QVYPJYLCSA-N
monoisotopicmass: 4.20230061E2
label: 7-trans-Laetiporic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 27:11;O2

2-Dehydro-3-deoxylaetiporic acid A
type: Class
formula: C27H30O3
inchikey: ZUWHINCAQDXMJU-CENJIFQDSA-N
monoisotopicmass: 4.02219496E2
label: 24-methyl-25-oxohexacosa-2E,5E,7E,9Z,11E,13Z,15E,17E,19Z,21E,23E-undecaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 27:12;O

15Z-Insignoic acid A
type: Class
formula: C24H42O4
inchi: InChI=1S/C24H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)21-23(26)19-20-24(27)28/h9-10,19-20,22,25H,2-8,11-18,21H2,1H3,(H,27,28)/b10-9-,20-19+
inchikey: NXXIZCVLSTUGMM-MOGVLALCSA-N
monoisotopicmass: 3.94308311E2
label: 6-hydroxy-4-oxotetracosa-2E,15Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 24:3;O2

16Z-Insignoic acid A
type: Class
formula: C24H42O4
inchi: InChI=1S/C24H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)21-23(26)19-20-24(27)28/h8-9,19-20,22,25H,2-7,10-18,21H2,1H3,(H,27,28)/b9-8-,20-19+
inchikey: DXRKVCQAINLCNW-JSSYWGFQSA-N
monoisotopicmass: 3.94308311E2
label: 6-hydroxy-4-oxotetracosa-2E,16Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 24:3;O2

17Z-Insignoic acid A
type: Class
formula: C24H42O4
inchi: InChI=1S/C24H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)21-23(26)19-20-24(27)28/h7-8,19-20,22,25H,2-6,9-18,21H2,1H3,(H,27,28)/b8-7-,20-19+
inchikey: HGXQURNTVMBCHF-JZLWWVKPSA-N
monoisotopicmass: 3.94308311E2
label: 6-hydroxy-4-oxotetracosa-2E,17Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 24:3;O2

15Z-Insignoic acid B
type: Class
formula: C24H40O3
inchikey: FIPGYMRQVYSWKT-NTSORMBISA-N
monoisotopicmass: 3.76297746E2
label: 4-oxotetracosa-2E,5E,15Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 24:4;O

16Z-Insignoic acid B
type: Class
formula: C24H40O3
inchikey: MGQAOHFNKLODEG-FVRWELPDSA-N
monoisotopicmass: 3.76297746E2
label: 4-oxotetracosa-2E,5E,16Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 24:4;O

17Z-Insignoic acid B
type: Class
formula: C24H40O3
inchikey: NYXBFTMERBEKIB-ACOAZTOXSA-N
monoisotopicmass: 3.76297746E2
label: 4-oxotetracosa-2E,5E,17Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 24:4;O

18Z-Insignoic acid B
type: Class
formula: C24H40O3
inchikey: DBHYXANCBYBFPI-OFMXOLRBSA-N
monoisotopicmass: 3.76297746E2
label: 4-oxotetracosa-2E,5E,18Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 24:4;O

19Z-Insignoic acid B
type: Class
formula: C24H40O3
inchikey: HQBSIGNZOANUJG-HFWUBLNCSA-N
monoisotopicmass: 3.76297746E2
label: 4-oxotetracosa-2E,5E,19Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 24:4;O

21Z-Insignoic acid B
type: Class
formula: C24H40O3
inchikey: LEQQVPJWCRETJP-JJVUUHCNSA-N
monoisotopicmass: 3.76297746E2
label: 4-oxotetracosa-2E,5E,21Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 24:4;O

15Z-Insignoic acid C
type: Class
formula: C26H46O4
inchi: InChI=1S/C26H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(30-4-2)23-24(27)21-22-26(28)29/h11-12,21-22,25H,3-10,13-20,23H2,1-2H3,(H,28,29)/b12-11-,22-21+
inchikey: HMWOWEMNJZFEDW-CAYADMIQSA-N
monoisotopicmass: 4.22339611E2
label: 6-ethoxy-4-oxotetracosa-2E,15Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/101
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 26:3;O2

16Z-Insignoic acid C
type: Class
formula: C26H46O4
inchi: InChI=1S/C26H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(30-4-2)23-24(27)21-22-26(28)29/h10-11,21-22,25H,3-9,12-20,23H2,1-2H3,(H,28,29)/b11-10-,22-21+
inchikey: IZZSUJVMRYNKBU-BCHRHLEHSA-N
monoisotopicmass: 4.22339611E2
label: 6-ethoxy-4-oxotetracosa-2E,16Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/101
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 26:3;O2

17Z-Insignoic acid C
type: Class
formula: C26H46O4
inchi: InChI=1S/C26H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(30-4-2)23-24(27)21-22-26(28)29/h9-10,21-22,25H,3-8,11-20,23H2,1-2H3,(H,28,29)/b10-9-,22-21+
inchikey: BINCGELDRTZDEL-RBJUHRAPSA-N
monoisotopicmass: 4.22339611E2
label: 6-ethoxy-4-oxotetracosa-2E,17Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/101
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 26:3;O2

19Z-Insignoic acid C
type: Class
formula: C26H46O4
inchi: InChI=1S/C26H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(30-4-2)23-24(27)21-22-26(28)29/h7-8,21-22,25H,3-6,9-20,23H2,1-2H3,(H,28,29)/b8-7-,22-21+
inchikey: MBWDSEISUNGUNX-JDRQIPOBSA-N
monoisotopicmass: 4.22339611E2
label: 6-ethoxy-4-oxotetracosa-2E,19Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/101
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 26:3;O2

18Z-Insignoic acid C
type: Class
formula: C26H46O4
inchi: InChI=1S/C26H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(30-4-2)23-24(27)21-22-26(28)29/h8-9,21-22,25H,3-7,10-20,23H2,1-2H3,(H,28,29)/b9-8-,22-21+
inchikey: YPEXGSYMVPDBBF-OBMLBXOFSA-N
monoisotopicmass: 4.22339611E2
label: 6-ethoxy-4-oxotetracosa-2E,18Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/101
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 26:3;O2

21Z-Insignoic acid C
type: Class
formula: C26H46O4
inchi: InChI=1S/C26H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(30-4-2)23-24(27)21-22-26(28)29/h5-6,21-22,25H,3-4,7-20,23H2,1-2H3,(H,28,29)/b6-5-,22-21+
inchikey: CNMHLOQRVFSLTR-REBCQANJSA-N
monoisotopicmass: 4.22339611E2
label: 6-ethoxy-4-oxotetracosa-2E,21Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/101
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 26:3;O2

11-keto-triacontanoic acid
type: Class
formula: C30H58O3
inchi: InChI=1S/C30H58O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26-29(31)27-24-21-18-16-19-22-25-28-30(32)33/h2-28H2,1H3,(H,32,33)
inchikey: HZSPEMFCEKPTSF-UHFFFAOYSA-N
monoisotopicmass: 4.66438596E2
label: 11-oxotriacontanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 30:1;O

17-Oxo-9Z,12Z-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9H,4-6,8,10-16H2,1H3,(H,20,21)/b3-2-,9-7-
inchikey: YVRZPOMTELFWIM-YXRHTCTQSA-N
monoisotopicmass: 2.94219496E2
label: 17-oxo-linoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 18:3;O

12-oxo-8E,10E-heptadecadienoic acid
type: Class
formula: C17H28O3
inchi: InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h6,8,11,14H,2-5,7,9-10,12-13,15H2,1H3,(H,19,20)/b8-6+,14-11+
inchikey: KQKLHUVQQRNYCV-SIGMCMEVSA-N
monoisotopicmass: 2.80203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 17:3;O

5-hydroxy-8-oxo-6-octenoic acid
type: Class
formula: C8H12O4
inchi: InChI=1S/C8H12O4/c9-6-2-4-7(10)3-1-5-8(11)12/h2,4,6-7,10H,1,3,5H2,(H,11,12)/b4-2+
inchikey: CNGLEBOLETVEMR-DUXPYHPUSA-N
monoisotopicmass: 1.7207356E2
label: HOOA
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
abbrev: FA 8:2;O2

methyl 9,10-epoxy-12,15-octadecadienoate
type: Class
formula: C19H32O3
inchi: InChI=1S/C19H32O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,17-18H,3,6-7,9-10,12-16H2,1-2H3/b5-4+,11-8+
inchikey: WJRQEOOGBUSIOJ-OCJIRGAFSA-N
monoisotopicmass: 3.08235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_192734
abbrev: FA 19:3;O

methyl 12,13-epoxy-9,15-octadecadienoate
type: Class
formula: C19H32O3
inchi: InChI=1S/C19H32O3/c1-3-4-11-14-17-18(22-17)15-12-9-7-5-6-8-10-13-16-19(20)21-2/h4,9,11-12,17-18H,3,5-8,10,13-16H2,1-2H3/b11-4+,12-9+
inchikey: UKZBTRSYQIJJLK-RUVIVGLCSA-N
monoisotopicmass: 3.08235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_190379
abbrev: FA 19:3;O

methyl 15,16-epoxy-9,12-octadecadienoate
type: Class
formula: C19H32O3
inchi: InChI=1S/C19H32O3/c1-3-17-18(22-17)15-13-11-9-7-5-4-6-8-10-12-14-16-19(20)21-2/h5,7,11,13,17-18H,3-4,6,8-10,12,14-16H2,1-2H3/b7-5+,13-11+
inchikey: WXOURJJDULGFAF-KNVWVLGRSA-N
monoisotopicmass: 3.08235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O

(2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid
type: Class
formula: C16H26O3
inchi: InChI=1S/C16H26O3/c1-5-16(4)14(19-16)10-9-12(2)7-6-8-13(3)11-15(17)18/h7,11,14H,5-6,8-10H2,1-4H3,(H,17,18)/b12-7+,13-11+/t14-,16+/m1/s1
inchikey: CZRJNVJQSPMQTQ-XKLQKUTNSA-N
monoisotopicmass: 2.66188195E2
label: 10R,11S-epoxy-3,7,11-trimethyl-2E,6E-tridecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
equivalent class: CHEBI_15580
abbrev: FA 16:3;O

methyl (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate
type: Class
formula: C17H28O3
inchi: InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3/b13-8+,14-12+/t15-,17-/m1/s1
inchikey: CPVQJXZBSGXTGJ-LDFUMKFYSA-N
monoisotopicmass: 2.80203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 17:3;O

14S,15R-epoxy-11Z-eicosenoic acid
type: Class
formula: C20H36O3
inchi: InChI=1S/C20H36O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h10,13,18-19H,2-9,11-12,14-17H2,1H3,(H,21,22)/b13-10-/t18-,19+/m1/s1
inchikey: IQTLUAOJSNPZIR-QOLSVTOYSA-N
monoisotopicmass: 3.24266446E2
label: Alchornoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
equivalent class: CHEBI_165391
abbrev: FA 20:2;O

18-Fluoro-9,10-Epoxyoctadecanoic acid
type: Class
formula: C18H33O3F
inchi: InChI=1S/C18H33FO3/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17H,1-15H2,(H,20,21)
inchikey: ASQQIVAJPKUHQO-UHFFFAOYSA-N
monoisotopicmass: 3.16241374E2
label: 18-Fluoro-9,10-epoxystearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

13,14-epoxy-7Z,10Z-Hexadecenoic acid
type: Class
formula: C16H26O3
inchi: InChI=1S/C16H26O3/c1-2-14-15(19-14)12-10-8-6-4-3-5-7-9-11-13-16(17)18/h3-4,8,10,14-15H,2,5-7,9,11-13H2,1H3,(H,17,18)/b4-3-,10-8-
inchikey: DEYUZONFWPPQHC-YHOGECKDSA-N
monoisotopicmass: 2.66188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
abbrev: FA 16:3;O

11,12-epoxy-14Z-Eicosenoic acid
type: Class
formula: C20H36O3
inchi: InChI=1S/C20H36O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h9,12,18-19H,2-8,10-11,13-17H2,1H3,(H,21,22)/b12-9-
inchikey: DTMJFRNHKXMKBD-XFXZXTDPSA-N
monoisotopicmass: 3.24266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
abbrev: FA 20:2;O

3-Acetoxy-octadecanoic acid
type: Class
formula: C20H38O4
inchi: InChI=1S/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-20(22)23)24-18(2)21/h19H,3-17H2,1-2H3,(H,22,23)
inchikey: FCQLMPOGKXZXOP-UHFFFAOYSA-N
monoisotopicmass: 3.42277011E2
label: 3-Acetoxystearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10107
equivalent class: CHEBI_168401
abbrev: FA 20:1;O2

10,11-Epoxy-7Z-hexadecenoic acid
type: Class
formula: C16H28O3
inchi: InChI=1S/C16H28O3/c1-2-3-8-11-14-15(19-14)12-9-6-4-5-7-10-13-16(17)18/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,17,18)/b9-6-
inchikey: OOBAENXGGRRPTQ-TWGQIWQCSA-N
monoisotopicmass: 2.68203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
equivalent class: CHEBI_187767
abbrev: FA 16:2;O

8,9-Epoxy-2Z-decene-4,6-diynoic acid
type: Class
formula: C10H8O3
inchi: InChI=1S/C10H8O3/c1-8-9(13-8)6-4-2-3-5-7-10(11)12/h5,7-9H,1H3,(H,11,12)/b7-5-
inchikey: UBMRQHZPEXIXEJ-ALCCZGGFSA-N
monoisotopicmass: 1.76047345E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
equivalent class: CHEBI_187304
abbrev: FA 10:6;O

9,10-Epoxy-12-octadecynoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)
inchikey: WBLXRDBPMRYRBK-UHFFFAOYSA-N
monoisotopicmass: 2.94219496E2
label: 9,10-Epoxy-octadec-12-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:3;O

17(18)-Epoxy-11Z,14Z-Eicosadienoic acid
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h6,8,12,14,18-19H,2-5,7,9-11,13,15-17H2,1H3,(H,21,22)/b8-6-,14-12-
inchikey: WKQIFAMQDFHXAL-HWXFIQLYSA-N
monoisotopicmass: 3.22250796E2
label: 17,18-Epoxy-11Z,14Z-Eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
abbrev: FA 20:3;O

5,6-Epoxyoctadeca-7,9-diynoic acid
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-17(21-16)14-12-15-18(19)20/h16-17H,2-8,12,14-15H2,1H3,(H,19,20)
inchikey: XLDNBXDVNANPCY-UHFFFAOYSA-N
monoisotopicmass: 2.90188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_184540
abbrev: FA 18:5;O

methyl 8S,9R-epoxy-2Z-decen-4,6-diynoate
type: Class
formula: C11H10O3
inchi: InChI=1S/C11H10O3/c1-9-10(14-9)7-5-3-4-6-8-11(12)13-2/h6,8-10H,1-2H3/b8-6-/t9-,10+/m1/s1
inchikey: PCDNXYJKUQSRGB-VCNAMUQVSA-N
monoisotopicmass: 1.90062995E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 11:6;O

methyl 8S,9S-epoxy-2Z-decen-4,6-diynoate
type: Class
formula: C11H10O3
inchi: InChI=1S/C11H10O3/c1-9-10(14-9)7-5-3-4-6-8-11(12)13-2/h6,8-10H,1-2H3/b8-6-/t9-,10-/m0/s1
inchikey: PCDNXYJKUQSRGB-RASWUEQRSA-N
monoisotopicmass: 1.90062995E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 11:6;O

methyl 10-hydroxy-8,9-epoxy-2Z-decen-4,6-diynoate
type: Class
formula: C11H10O4
inchi: InChI=1S/C11H10O4/c1-14-11(13)7-5-3-2-4-6-9-10(8-12)15-9/h5,7,9-10,12H,8H2,1H3/b7-5-
inchikey: DHUOSWGSFRCYSJ-ALCCZGGFSA-N
monoisotopicmass: 2.0605791E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 11:6;O2

methyl 10-acetoxy-8,9-epoxy-2Z-decen-4,6-diynoate
type: Class
formula: C13H12O5
inchi: InChI=1S/C13H12O5/c1-10(14)17-9-12-11(18-12)7-5-3-4-6-8-13(15)16-2/h6,8,11-12H,9H2,1-2H3/b8-6-
inchikey: BNQDPVXVNJANSG-VURMDHGXSA-N
monoisotopicmass: 2.48068475E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_185770
abbrev: FA 13:7;O3

9S,10R-epoxy-12-octadecynoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/t16-,17+/m1/s1
inchikey: WBLXRDBPMRYRBK-SJORKVTESA-N
monoisotopicmass: 2.94219496E2
label: 9S,10R-epoxy-octadec-12-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:3;O

9,10-epoxy-11,13-docosadiynoic acid
type: Class
formula: C22H34O3
inchi: InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-11-14-17-20-21(25-20)18-15-12-10-13-16-19-22(23)24/h20-21H,2-8,10,12-13,15-16,18-19H2,1H3,(H,23,24)
inchikey: RRAFKGMABGTGAF-UHFFFAOYSA-N
monoisotopicmass: 3.46250796E2
label: 9,10-epoxy-docosa-11,13-diynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
equivalent class: CHEBI_187321
abbrev: FA 22:5;O

methyl 9,10-Epoxy-11,13-docosadiynoate
type: Class
formula: C23H36O3
inchi: InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-12-15-18-21-22(26-21)19-16-13-11-14-17-20-23(24)25-2/h21-22H,3-9,11,13-14,16-17,19-20H2,1-2H3
inchikey: NFNUHDOFCNVCAD-UHFFFAOYSA-N
monoisotopicmass: 3.60266446E2
label: methyl 9,10-Epoxy-docosa-11,13-diynoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_186872
abbrev: FA 23:5;O

5S,6S-epoxy-7-undecynoic acid
type: Class
formula: C11H16O3
inchi: InChI=1S/C11H16O3/c1-2-3-4-6-9-10(14-9)7-5-8-11(12)13/h9-10H,2-3,5,7-8H2,1H3,(H,12,13)/t9-,10-/m0/s1
inchikey: QHOHOFWVHHZVOP-UWVGGRQHSA-N
monoisotopicmass: 1.96109945E2
label: 5S,6S-epoxy-undec-7-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
equivalent class: CHEBI_177987
abbrev: FA 11:3;O

5R,6R-epoxy-7-eicosynoic acid
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h18-19H,2-12,14,16-17H2,1H3,(H,21,22)/t18-,19-/m1/s1
inchikey: DRLUZIPKHGLGFT-RTBURBONSA-N
monoisotopicmass: 3.22250796E2
label: 5R,6R-epoxy-eicos-7-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
abbrev: FA 20:3;O

methyl 5R,6R-epoxy-7-eicosynoate
type: Class
formula: C21H36O3
inchi: InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h19-20H,3-13,15,17-18H2,1-2H3/t19-,20-/m1/s1
inchikey: GFJBVECADOXVQF-WOJBJXKFSA-N
monoisotopicmass: 3.36266446E2
label: methyl 5R,6R-epoxy-eicos-7-ynoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 21:3;O

ethyl 5R,6R-epoxy-7-eicosynoate
type: Class
formula: C22H38O3
inchi: InChI=1S/C22H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-21(25-20)18-16-19-22(23)24-4-2/h20-21H,3-14,16,18-19H2,1-2H3/t20-,21-/m1/s1
inchikey: LZAQRTYTZUGVMN-NHCUHLMSSA-N
monoisotopicmass: 3.50282096E2
label: ethyl 5R,6R-epoxy-eicos-7-ynoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 22:3;O

5S,6R-epoxy-7-eicosynoic acid
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h18-19H,2-12,14,16-17H2,1H3,(H,21,22)/t18-,19+/m1/s1
inchikey: DRLUZIPKHGLGFT-MOPGFXCFSA-N
monoisotopicmass: 3.22250796E2
label: 5S,6R-epoxy-eicos-7-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
abbrev: FA 20:3;O

methyl 5S,6R-epoxy-7-eicosynoate
type: Class
formula: C21H36O3
inchi: InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h19-20H,3-13,15,17-18H2,1-2H3/t19-,20+/m1/s1
inchikey: GFJBVECADOXVQF-UXHICEINSA-N
monoisotopicmass: 3.36266446E2
label: methyl 5S,6R-epoxy-eicos-7-ynoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 21:3;O

ethyl 5S,6R-epoxy-7-eicosynoate
type: Class
formula: C22H38O3
inchi: InChI=1S/C22H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-21(25-20)18-16-19-22(23)24-4-2/h20-21H,3-14,16,18-19H2,1-2H3/t20-,21+/m1/s1
inchikey: LZAQRTYTZUGVMN-RTWAWAEBSA-N
monoisotopicmass: 3.50282096E2
label: ethyl 5S,6R-epoxy-eicos-7-ynoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 22:3;O

5R,6R-epoxy-9E-eicosen-7-ynoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h11-12,18-19H,2-10,14,16-17H2,1H3,(H,21,22)/b12-11+/t18-,19-/m1/s1
inchikey: AKIUOASIMQPHHW-MCBHFWOFSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
abbrev: FA 20:4;O

methyl 5R,6R-epoxy-9E-eicosen-7-ynoate
type: Class
formula: C21H34O3
inchi: InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h12-13,19-20H,3-11,15,17-18H2,1-2H3/b13-12+/t19-,20-/m1/s1
inchikey: IFPYWNUVVZGOJV-OKLSWEBGSA-N
monoisotopicmass: 3.34250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 21:4;O

ethyl 5R,6R-epoxy-9E-eicosen-7-ynoate
type: Class
formula: C22H36O3
inchi: InChI=1S/C22H36O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-21(25-20)18-16-19-22(23)24-4-2/h13-14,20-21H,3-12,16,18-19H2,1-2H3/b14-13+/t20-,21-/m1/s1
inchikey: UHYQLOYIYUQZJO-SVKRATOZSA-N
monoisotopicmass: 3.48266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_187397
abbrev: FA 22:4;O

8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoic acid
type: Class
formula: C18H22O3
inchi: InChI=1S/C18H22O3/c1-2-3-4-5-6-7-10-13-16-17(21-16)14-11-8-9-12-15-18(19)20/h3-6,16-17H,2,7,10,12-13,15H2,1H3,(H,19,20)/b4-3-,6-5-/t16-,17-/m1/s1
inchikey: SWRMRPSAQGCYAR-RQUJOCSXSA-N
monoisotopicmass: 2.86156895E2
label: 8R,9R-epoxy-eicosa-13Z,15Z-dien-4,6-diynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
equivalent class: CHEBI_187227
abbrev: FA 18:7;O

8R,9R-epoxy-17-octadecen-4,6-diynoic acid
type: Class
formula: C18H24O3
inchi: InChI=1S/C18H24O3/c1-2-3-4-5-6-7-10-13-16-17(21-16)14-11-8-9-12-15-18(19)20/h2,16-17H,1,3-7,10,12-13,15H2,(H,19,20)/t16-,17-/m1/s1
inchikey: CBZFXYOBKXTQJP-IAGOWNOFSA-N
monoisotopicmass: 2.88172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:6;O

methyl 8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoate
type: Class
formula: C19H24O3
inchi: InChI=1S/C19H24O3/c1-3-4-5-6-7-8-11-14-17-18(22-17)15-12-9-10-13-16-19(20)21-2/h4-7,17-18H,3,8,11,13-14,16H2,1-2H3/b5-4-,7-6-/t17-,18-/m1/s1
inchikey: MDODIGWAXXDWHR-BOVLPNEZSA-N
monoisotopicmass: 3.00172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_186411
abbrev: FA 19:7;O

8R,9R-epoxy-octadec-4,6,16-triynoic acid
type: Class
formula: C18H22O3
inchi: InChI=1S/C18H22O3/c1-2-3-4-5-6-7-10-13-16-17(21-16)14-11-8-9-12-15-18(19)20/h16-17H,4-7,10,12-13,15H2,1H3,(H,19,20)/t16-,17-/m1/s1
inchikey: HUGLATTWEVDGTA-IAGOWNOFSA-N
monoisotopicmass: 2.86156895E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/102
abbrev: FA 18:7;O

11,12-epoxy-17-bromo-8S-hydroxy-9E-heptadecen-16-ynoic acid
type: Class
formula: C17H25O4Br
inchi: InChI=1S/C17H25BrO4/c18-13-7-3-5-9-15-16(22-15)12-11-14(19)8-4-1-2-6-10-17(20)21/h11-12,14-16,19H,1-6,8-10H2,(H,20,21)/b12-11+/t14-,15?,16?/m0/s1
inchikey: AXEPHILFMYPAOZ-OSSVZDDVSA-N
monoisotopicmass: 3.7209362E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10109

11,12-epoxy-10-hydroxy-8E-heptadecenoic acid
type: Class
formula: C17H30O4
inchi: InChI=1S/C17H30O4/c1-2-3-8-12-15-17(21-15)14(18)11-9-6-4-5-7-10-13-16(19)20/h9,11,14-15,17-18H,2-8,10,12-13H2,1H3,(H,19,20)/b11-9+
inchikey: AIMIYBFEZJBNFT-PKNBQFBNSA-N
monoisotopicmass: 2.98214411E2
label: EHHDA
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
abbrev: FA 17:2;O2

2-methoxy-5Z-hexadecenoic acid
type: Class
formula: C17H32O3
inchi: InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h12-13,16H,3-11,14-15H2,1-2H3,(H,18,19)/b13-12-
inchikey: IZQFBIOUXQEERU-SEYXRHQNSA-N
monoisotopicmass: 2.84235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_34293
abbrev: FA 17:1;O

8-methoxy-13-hydroxy-9,11-octadecadienoic acid
type: Class
formula: C19H34O4
inchi: InChI=1S/C19H34O4/c1-3-4-7-12-17(20)13-10-11-15-18(23-2)14-8-5-6-9-16-19(21)22/h10-11,13,15,17-18,20H,3-9,12,14,16H2,1-2H3,(H,21,22)/b13-10+,15-11+
inchikey: FPDXRJMUHIDIMS-FVIOEUFFSA-N
monoisotopicmass: 3.26245711E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_165424
abbrev: FA 19:2;O2

11,13-dimethoxy-12-hydroxy-9-octadecenoic acid
type: Class
formula: C20H38O5
inchi: InChI=1S/C20H38O5/c1-4-5-11-14-17(24-2)20(23)18(25-3)15-12-9-7-6-8-10-13-16-19(21)22/h12,15,17-18,20,23H,4-11,13-14,16H2,1-3H3,(H,21,22)/b15-12+
inchikey: MQWZCHDMBWJFTK-NTCAYCPXSA-N
monoisotopicmass: 3.58271926E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_169478
abbrev: FA 20:1;O3

9,10-dimethoxy-13-hydroxy-11-octadecenoic acid
type: Class
formula: C20H38O5
inchi: InChI=1S/C20H38O5/c1-4-5-9-12-17(21)15-16-19(25-3)18(24-2)13-10-7-6-8-11-14-20(22)23/h15-19,21H,4-14H2,1-3H3,(H,22,23)/b16-15+
inchikey: NOFLXSQXUWLFHC-FOCLMDBBSA-N
monoisotopicmass: 3.58271926E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_187154
abbrev: FA 20:1;O3

9,12-dimethoxy-13-hydroxy-10-octadecenoic acid
type: Class
formula: C20H38O5
inchi: InChI=1S/C20H38O5/c1-4-5-9-13-18(21)19(25-3)16-15-17(24-2)12-10-7-6-8-11-14-20(22)23/h15-19,21H,4-14H2,1-3H3,(H,22,23)/b16-15+
inchikey: NMFUHXXKMLKRGE-FOCLMDBBSA-N
monoisotopicmass: 3.58271926E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_185229
abbrev: FA 20:1;O3

12,13-dihydroxy-11-methoxy-9-octadecenoic acid
type: Class
formula: C19H36O5
inchi: InChI=1S/C19H36O5/c1-3-4-10-13-16(20)19(23)17(24-2)14-11-8-6-5-7-9-12-15-18(21)22/h11,14,16-17,19-20,23H,3-10,12-13,15H2,1-2H3,(H,21,22)/b14-11+
inchikey: VLWJNSLOMXQTLE-SDNWHVSQSA-N
monoisotopicmass: 3.44256276E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_137795
abbrev: FA 19:1;O3

11-methoxy-12,13-epoxy-9-octadecenoic acid
type: Class
formula: C19H34O4
inchi: InChI=1S/C19H34O4/c1-3-4-10-14-17-19(23-17)16(22-2)13-11-8-6-5-7-9-12-15-18(20)21/h11,13,16-17,19H,3-10,12,14-15H2,1-2H3,(H,20,21)/b13-11+
inchikey: WLOMJJRDPWCKSV-ACCUITESSA-N
monoisotopicmass: 3.26245711E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_187473
abbrev: FA 19:2;O2

2-methoxy-6Z-hexadecenoic acid
type: Class
formula: C17H32O3
inchi: InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h11-12,16H,3-10,13-15H2,1-2H3,(H,18,19)/b12-11-
inchikey: KGJRSNOTKLROQM-QXMHVHEDSA-N
monoisotopicmass: 2.84235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_34294
abbrev: FA 17:1;O

2-methoxy-hexadecanoic acid
type: Class
formula: C17H34O3
inchi: InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
inchikey: YNBIUHDYZWCBSF-UHFFFAOYSA-N
monoisotopicmass: 2.86250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_34295
abbrev: FA 17:0;O

(R)-2-methoxyhexadecanoic acid
type: Class
formula: C17H34O3
inchi: InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/t16-/m1/s1
inchikey: YNBIUHDYZWCBSF-MRXNPFEDSA-N
monoisotopicmass: 2.86250796E2
label: 2R-methoxyhexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_38244
abbrev: FA 17:0;O

7-Methoxy-9-methyl-4E,8E-hexadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-4-5-6-7-9-12-16(2)15-17(21-3)13-10-8-11-14-18(19)20/h8,10,15,17H,4-7,9,11-14H2,1-3H3,(H,19,20)/b10-8+,16-15+
inchikey: RDADKZPYWXITRK-ZNNSQMGQSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 18:2;O

7-methoxy-4E-dodecenoic acid
type: Class
formula: C13H24O3
inchi: InChI=1S/C13H24O3/c1-3-4-6-9-12(16-2)10-7-5-8-11-13(14)15/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,14,15)/b7-5+
inchikey: KBMNVOKQUUZFOO-FNORWQNLSA-N
monoisotopicmass: 2.28172545E2
label: 7-methoxy-dodec-4-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_186233
abbrev: FA 13:1;O

9-methoxy-pentadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-3-4-5-9-12-15(19-2)13-10-7-6-8-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
inchikey: QWMAMXJYEIAKRF-UHFFFAOYSA-N
monoisotopicmass: 2.72235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_184524
abbrev: FA 16:0;O

9-methoxy-heptadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-3-4-5-6-8-11-14-17(21-2)15-12-9-7-10-13-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
inchikey: OJVARKQKLHOOKH-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_190113
abbrev: FA 18:0;O

13-methoxy-heneicosanoic acid
type: Class
formula: C22H44O3
inchi: InChI=1S/C22H44O3/c1-3-4-5-6-12-15-18-21(25-2)19-16-13-10-8-7-9-11-14-17-20-22(23)24/h21H,3-20H2,1-2H3,(H,23,24)
inchikey: MZXNTCGVKVBBBA-UHFFFAOYSA-N
monoisotopicmass: 3.56329046E2
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_180148
abbrev: FA 22:0;O

15-methoxy-tricosanoic acid
type: Class
formula: C24H48O3
inchi: InChI=1S/C24H48O3/c1-3-4-5-6-14-17-20-23(27-2)21-18-15-12-10-8-7-9-11-13-16-19-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)
inchikey: XAHQMQMCLFTERG-UHFFFAOYSA-N
monoisotopicmass: 3.84360346E2
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 24:0;O

8,10-dimethoxy-octadecanoic acid
type: Class
formula: C20H40O4
inchi: InChI=1S/C20H40O4/c1-4-5-6-7-8-11-14-18(23-2)17-19(24-3)15-12-9-10-13-16-20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
inchikey: RGPGJWBMNOHCDK-UHFFFAOYSA-N
monoisotopicmass: 3.44292661E2
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 20:0;O2

6,6-dimethoxy-octanoic acid
type: Class
formula: C10H20O4
inchi: InChI=1S/C10H20O4/c1-4-10(13-2,14-3)8-6-5-7-9(11)12/h4-8H2,1-3H3,(H,11,12)
inchikey: WZGDVNUKZWUYBJ-UHFFFAOYSA-N
monoisotopicmass: 2.0413616E2
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 10:0;O2

9,9-dimethoxy-nonanoic acid
type: Class
formula: C11H22O4
inchi: InChI=1S/C11H22O4/c1-14-11(15-2)9-7-5-3-4-6-8-10(12)13/h11H,3-9H2,1-2H3,(H,12,13)
inchikey: XDIISQHQFQMEIB-UHFFFAOYSA-N
monoisotopicmass: 2.1815181E2
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_187033
abbrev: FA 11:0;O2

2-methoxy-tetradecanoic acid
type: Class
formula: C15H30O3
inchi: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(18-2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
inchikey: SVEUDKQPMQGCGQ-UHFFFAOYSA-N
monoisotopicmass: 2.58219496E2
label: 2-methoxytetradecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 15:0;O

2-methoxy-decanoic acid
type: Class
formula: C11H22O3
inchi: InChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-10(14-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
inchikey: WMKSSGPYLVBYJC-UHFFFAOYSA-N
monoisotopicmass: 2.02156895E2
label: 2-methoxydecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 11:0;O

2-methoxy-4-oxa-tetradecanoic acid
type: Class
formula: C14H28O4
inchi: InChI=1S/C14H28O4/c1-3-4-5-6-7-8-9-10-11-18-12-13(17-2)14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
inchikey: RZVKSAIQLVVRNB-UHFFFAOYSA-N
monoisotopicmass: 2.60198761E2
label: 2-methoxy-4-oxatetradecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_185606
abbrev: FA 14:0;O2

(5Z,9Z)-2-methoxy-5,9-hexacosadienoic acid
type: Class
formula: C27H50O3
inchikey: USCVSTUZLRXEMP-ZCIBKELESA-N
monoisotopicmass: 4.22375996E2
label: (5Z,9Z)-2-methoxy-hexacosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_187350
abbrev: FA 27:2;O

10-methoxy-octadecanoic acid
type: Class
formula: C19H38O3
inchi: InChI=1S/C19H38O3/c1-3-4-5-6-9-12-15-18(22-2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: FNELHTCOGDXUFU-UHFFFAOYSA-N
monoisotopicmass: 3.14282096E2
label: 10-methoxyoctadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_186575
abbrev: FA 19:0;O

11-methoxy-octadecanoic acid
type: Class
formula: C19H38O3
inchi: InChI=1S/C19H38O3/c1-3-4-5-9-12-15-18(22-2)16-13-10-7-6-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: WWDCPOBCECWOAQ-UHFFFAOYSA-N
monoisotopicmass: 3.14282096E2
label: 11-methoxyoctadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_186577
abbrev: FA 19:0;O

12-methoxyeicosanoic acid
type: Class
formula: C21H42O3
inchi: InChI=1S/C21H42O3/c1-3-4-5-6-11-14-17-20(24-2)18-15-12-9-7-8-10-13-16-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
inchikey: QUFONQHYWMNXPN-UHFFFAOYSA-N
monoisotopicmass: 3.42313396E2
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 21:0;O

13-methoxyeicosanoic acid
type: Class
formula: C21H42O3
inchi: InChI=1S/C21H42O3/c1-3-4-5-11-14-17-20(24-2)18-15-12-9-7-6-8-10-13-16-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
inchikey: GMAQFMVWIUXVCU-UHFFFAOYSA-N
monoisotopicmass: 3.42313396E2
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 21:0;O

11-methoxy-heptadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-3-4-5-11-14-17(21-2)15-12-9-7-6-8-10-13-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
inchikey: ASIMYHUYTWMYIY-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: 11-methoxyheptadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 18:0;O

11-methoxy-nonadecanoic acid
type: Class
formula: C20H40O3
inchi: InChI=1S/C20H40O3/c1-3-4-5-6-10-13-16-19(23-2)17-14-11-8-7-9-12-15-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
inchikey: ROZAZLGTUNTXFB-UHFFFAOYSA-N
monoisotopicmass: 3.28297746E2
label: 11-methoxynonadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_169218
abbrev: FA 20:0;O

7-methoxy-hexadec-(4E,8E)-dienoic acid
type: Class
formula: C17H30O3
inchi: InChI=1S/C17H30O3/c1-3-4-5-6-7-8-10-13-16(20-2)14-11-9-12-15-17(18)19/h9-11,13,16H,3-8,12,14-15H2,1-2H3,(H,18,19)/b11-9+,13-10+
inchikey: SDZZDAKRASOOBC-HOJJKJLFSA-N
monoisotopicmass: 2.82219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 17:2;O

7(S)-methoxy-dodedec-4E-enoic acid
type: Class
formula: C13H24O3
inchi: InChI=1S/C13H24O3/c1-3-4-6-9-12(16-2)10-7-5-8-11-13(14)15/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,14,15)/b7-5+/t12-/m0/s1
inchikey: KBMNVOKQUUZFOO-PZBABLGHSA-N
monoisotopicmass: 2.28172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 13:1;O

7(S)-methoxy-tetradec-4E-enoic acid
type: Class
formula: C15H28O3
inchi: InChI=1S/C15H28O3/c1-3-4-5-6-8-11-14(18-2)12-9-7-10-13-15(16)17/h7,9,14H,3-6,8,10-13H2,1-2H3,(H,16,17)/b9-7+/t14-/m0/s1
inchikey: DHIPOEWPWSLXNL-KGXGESDWSA-N
monoisotopicmass: 2.56203846E2
label: Lyngbic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
equivalent class: CHEBI_67609
abbrev: FA 15:1;O

(5Z,9Z)-2R-methoxy-25-methyl-5,9-hexacosadienoic acid
type: Class
formula: C28H52O3
inchi: InChI=1S/C28H52O3/c1-26(2)24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27(31-3)28(29)30/h11,13,19,21,26-27H,4-10,12,14-18,20,22-25H2,1-3H3,(H,29,30)/b13-11-,21-19-/t27-/m1/s1
inchikey: BMZDIRKBQQTDOM-VNYSTWBRSA-N
monoisotopicmass: 4.36391646E2
label: (5Z,9Z)-2R-methoxy-25-methyl-hexacosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 28:2;O

(5Z,9Z)-2R-Methoxy-24-methyl-5,9-hexacosadienoic acid
type: Class
formula: C28H52O3
inchi: InChI=1S/C28H52O3/c1-4-26(2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27(31-3)28(29)30/h11,13,19,21,26-27H,4-10,12,14-18,20,22-25H2,1-3H3,(H,29,30)/b13-11-,21-19-/t26?,27-/m1/s1
inchikey: KKMNLCLHDMIGCY-JDTAGPPYSA-N
monoisotopicmass: 4.36391646E2
label: (5Z,9Z)-2R-Methoxy-24-methyl-hexacosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 28:2;O

16S-methoxytricos-8E-en-4,6,17,19-tetraynoic acid
type: Class
formula: C24H30O3
inchi: InChI=1S/C24H30O3/c1-3-4-5-14-17-20-23(27-2)21-18-15-12-10-8-6-7-9-11-13-16-19-22-24(25)26/h6-7,23H,3-4,8,10,12,15,18-19,21-22H2,1-2H3,(H,25,26)/b7-6+/t23-/m1/s1
inchikey: IRMPPBDIAFAVBC-BMOUEYTDSA-N
monoisotopicmass: 3.66219496E2
label: Carduusyne C
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 24:9;O

2-Methoxypentadecanoic acid
type: Class
formula: C16H32O3
inchi: InChI=1S/C16H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(19-2)16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
inchikey: GDVOBZLUPWKBIX-UHFFFAOYSA-N
monoisotopicmass: 2.72235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 16:0;O

2-Methoxyoctadecanoic acid
type: Class
formula: C19H38O3
inchi: InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22-2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
inchikey: IRFCIZSKPMLDRJ-UHFFFAOYSA-N
monoisotopicmass: 3.14282096E2
label: Methoxystearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 19:0;O

2-methoxy-6Z-tetradecenoic acid
type: Class
formula: C15H28O3
inchi: InChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(18-2)15(16)17/h9-10,14H,3-8,11-13H2,1-2H3,(H,16,17)/b10-9-
inchikey: GEIRCFOBQDWARB-KTKRTIGZSA-N
monoisotopicmass: 2.56203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 15:1;O

2-methoxy-6Z-pentadecenoic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(19-2)16(17)18/h10-11,15H,3-9,12-14H2,1-2H3,(H,17,18)/b11-10-
inchikey: IITSKQNIRGQQPL-KHPPLWFESA-N
monoisotopicmass: 2.70219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 16:1;O

2-methoxy-13-methyl-6Z-tetradecenoic acid
type: Class
formula: C16H30O3
inchi: InChI=1S/C16H30O3/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(19-3)16(17)18/h5,7,14-15H,4,6,8-13H2,1-3H3,(H,17,18)/b7-5-
inchikey: JLTGHGXRJSAWBG-ALCCZGGFSA-N
monoisotopicmass: 2.70219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
abbrev: FA 16:1;O

3-bromo-2Z-heptenoic acid
type: Class
formula: C7H11O2Br
inchi: InChI=1S/C7H11BrO2/c1-2-3-4-6(8)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)/b6-5-
inchikey: ZWQSWMXYEPWSRT-WAYWQWQTSA-N
monoisotopicmass: 2.0599424E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_34329

10-bromo-decanoic acid
type: Class
formula: C10H19O2Br
inchi: InChI=1S/C10H19BrO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)
inchikey: PGVRSPIEZYGOAD-UHFFFAOYSA-N
monoisotopicmass: 2.5005684E2
subclass of: https://www.lipidmaps.org/rdf/category/10109

2-bromo-decanoic acid
type: Class
formula: C10H19O2Br
inchi: InChI=1S/C10H19BrO2/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
inchikey: KNLOTZNPRIFUAR-UHFFFAOYSA-N
monoisotopicmass: 2.5005684E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_72820

9-bromo-decanoic acid
type: Class
formula: C10H19O2Br
inchi: InChI=1S/C10H19BrO2/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9H,2-8H2,1H3,(H,12,13)
inchikey: NALSZVIUTARYSI-UHFFFAOYSA-N
monoisotopicmass: 2.5005684E2
subclass of: https://www.lipidmaps.org/rdf/category/10109

11-bromo-undecanoic acid
type: Class
formula: C11H21O2Br
inchi: InChI=1S/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)
inchikey: IUDGNRWYNOEIKF-UHFFFAOYSA-N
monoisotopicmass: 2.6407249E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_176862

11-bromo-dodecanoic acid
type: Class
formula: C12H23O2Br
inchi: InChI=1S/C12H23BrO2/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h11H,2-10H2,1H3,(H,14,15)
inchikey: YHYSFJBAAMODHY-UHFFFAOYSA-N
monoisotopicmass: 2.7808814E2
subclass of: https://www.lipidmaps.org/rdf/category/10109

12-bromo-dodecanoic acid
type: Class
formula: C12H23O2Br
inchi: InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
inchikey: YYKBWYBUCFHYPR-UHFFFAOYSA-N
monoisotopicmass: 2.7808814E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_49519

12-chloro-dodecanoic acid
type: Class
formula: C12H23O2Cl
inchi: InChI=1S/C12H23ClO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
inchikey: CSQLFBKZQRLUFP-UHFFFAOYSA-N
monoisotopicmass: 2.34138658E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_137751

2-bromo-dodecanoic acid
type: Class
formula: C12H23O2Br
inchi: InChI=1S/C12H23BrO2/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10H2,1H3,(H,14,15)
inchikey: HXKXBCBZXXQPPD-UHFFFAOYSA-N
monoisotopicmass: 2.7808814E2
subclass of: https://www.lipidmaps.org/rdf/category/10109

16-bromo-hexadecanoic acid
type: Class
formula: C16H31O2Br
inchi: InChI=1S/C16H31BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)
inchikey: PFNCOYVEMJYEED-UHFFFAOYSA-N
monoisotopicmass: 3.34150741E2
subclass of: https://www.lipidmaps.org/rdf/category/10109

2-bromo-hexadecanoic acid
type: Class
formula: C16H31O2Br
inchi: InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
inchikey: DPRAYRYQQAXQPE-UHFFFAOYSA-N
monoisotopicmass: 3.34150741E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_133152

16-bromo-9E-hexadecenoic acid
type: Class
formula: C16H29O2Br
inchi: InChI=1S/C16H29BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3H,2,4-15H2,(H,18,19)/b3-1+
inchikey: GPTUUMAGTKZYRF-HNQUOIGGSA-N
monoisotopicmass: 3.3213509E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

12-bromo-octadecanoic acid
type: Class
formula: C18H35O2Br
inchi: InChI=1S/C18H35BrO2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17H,2-16H2,1H3,(H,20,21)
inchikey: OOXDKNSCVLIEIN-UHFFFAOYSA-N
monoisotopicmass: 3.62182041E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

18-bromo-octadecanoic acid
type: Class
formula: C18H35O2Br
inchi: InChI=1S/C18H35BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-17H2,(H,20,21)
inchikey: BSDAIZFMQYOAFY-UHFFFAOYSA-N
monoisotopicmass: 3.62182041E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187760

2-bromo-octadecanoic acid
type: Class
formula: C18H35O2Br
inchi: InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16H2,1H3,(H,20,21)
inchikey: KRBFFJIZAKABSA-UHFFFAOYSA-N
monoisotopicmass: 3.62182041E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

6-bromo-5,9-hexacosadienoic acid
type: Class
formula: C26H47O2Br
inchikey: IIPLCJVYXLOVIW-XHFMNYCASA-N
monoisotopicmass: 4.70275941E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

6-bromo-5E,9Z-hexacosadienoic acid
type: Class
formula: C26H47BrO2
inchikey: IIPLCJVYXLOVIW-GNDNDAELSA-N
monoisotopicmass: 4.70275941E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

7-chloro-2E-heptenoic acid
type: Class
formula: C7H11O2Cl
inchi: InChI=1S/C7H11ClO2/c8-6-4-2-1-3-5-7(9)10/h3,5H,1-2,4,6H2,(H,9,10)/b5-3+
inchikey: DFRVTLVIAOJPQP-HWKANZROSA-N
monoisotopicmass: 1.62044758E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_137821

2-bromo-nonanoic acid
type: Class
formula: C9H17O2Br
inchi: InChI=1S/C9H17BrO2/c1-2-3-4-5-6-7-8(10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
inchikey: MELJYLJLJXTLGX-UHFFFAOYSA-N
monoisotopicmass: 2.3604119E2
subclass of: https://www.lipidmaps.org/rdf/category/10109

9-bromo-nonanoic acid
type: Class
formula: C9H17O2Br
inchi: InChI=1S/C9H17BrO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8H2,(H,11,12)
inchikey: XEGRKZRPTBNSMN-UHFFFAOYSA-N
monoisotopicmass: 2.3604119E2
subclass of: https://www.lipidmaps.org/rdf/category/10109

3S-bromobutanoic acid
type: Class
formula: C4H7O2Br
inchi: InChI=1S/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
inchikey: HAIUIAZIUDPZIE-VKHMYHEASA-N
monoisotopicmass: 1.6596294E2
subclass of: https://www.lipidmaps.org/rdf/category/10109

2-bromo-2-butenoic acid
type: Class
formula: C4H5O2Br
inchi: InChI=1S/C4H5BrO2/c1-2-3(5)4(6)7/h2H,1H3,(H,6,7)/b3-2-
inchikey: YKIKDQYYTAOTPL-IHWYPQMZSA-N
monoisotopicmass: 1.6394729E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

7-bromo-5-heptynoic acid
type: Class
formula: C7H9O2Br
inchi: InChI=1S/C7H9BrO2/c8-6-4-2-1-3-5-7(9)10/h1,3,5-6H2,(H,9,10)
inchikey: MEPYEDWQGLFULE-UHFFFAOYSA-N
monoisotopicmass: 2.0397859E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

18-bromo-17E-octadecen-5,7,15-triynoic acid
type: Class
formula: C18H21O2Br
inchi: InChI=1S/C18H21BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h15,17H,1-3,5,7,9,12,14,16H2,(H,20,21)/b17-15+
inchikey: OXVNISBZKQCMOO-BMRADRMJSA-N
monoisotopicmass: 3.4807249E2
label: Xestospongic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_186541

16-fluoro-hexadecanoic acid
type: Class
formula: C16H31FO2
inchi: InChI=1S/C16H31FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)
inchikey: PNNLLDRVJFDXNL-UHFFFAOYSA-N
monoisotopicmass: 2.74230809E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_34164

18-fluoro-9Z-octadecenoic acid
type: Class
formula: C18H33O2F
inchi: InChI=1S/C18H33FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2H,3-17H2,(H,20,21)/b2-1-
inchikey: XZCKFYWUUUBKNC-UPHRSURJSA-N
monoisotopicmass: 3.00246459E2
label: 18-fluoro-oleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

18-fluoro-9E-octadecenoic acid
type: Class
formula: C18H33O2F
inchi: InChI=1S/C18H33FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2H,3-17H2,(H,20,21)/b2-1+
inchikey: XZCKFYWUUUBKNC-OWOJBTEDSA-N
monoisotopicmass: 3.00246459E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

2-iodo-hexadecanoic acid
type: Class
formula: C16H31IO2
inchi: InChI=1S/C16H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
inchikey: YLPKUDQPEREJNG-UHFFFAOYSA-N
monoisotopicmass: 3.8213687E2
subclass of: https://www.lipidmaps.org/rdf/category/10109

3-iodo-hexadecanoic acid
type: Class
formula: C16H31IO2
inchi: InChI=1S/C16H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15H,2-14H2,1H3,(H,18,19)
inchikey: NCMJGOFMXHKQDT-UHFFFAOYSA-N
monoisotopicmass: 3.8213687E2
subclass of: https://www.lipidmaps.org/rdf/category/10109

16-iodo-hexadecanoic acid
type: Class
formula: C16H31IO2
inchi: InChI=1S/C16H31IO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)
inchikey: RNTWMPKPEATMJA-UHFFFAOYSA-N
monoisotopicmass: 3.8213687E2
subclass of: https://www.lipidmaps.org/rdf/category/10109

3-iodo-octadecanoic acid
type: Class
formula: C18H35IO2
inchi: InChI=1S/C18H35IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17H,2-16H2,1H3,(H,20,21)
inchikey: DJFRHANNURBCFM-UHFFFAOYSA-N
monoisotopicmass: 4.1016817E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_169251

2-fluoro-hexadecanoic acid
type: Class
formula: C16H31O2F
inchi: InChI=1S/C16H31FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
inchikey: JGRIJJOLCNCSNX-UHFFFAOYSA-N
monoisotopicmass: 2.74230809E2
label: 2-fluoro-palmitic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_94978

2,2-difluoro-hexadecanoic acid
type: Class
formula: C16H30O2F2
inchi: InChI=1S/C16H30F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17,18)15(19)20/h2-14H2,1H3,(H,19,20)
inchikey: HGVDJVRXKWKSJP-UHFFFAOYSA-N
monoisotopicmass: 2.92221388E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_169511

9-chloro-10-hydroxy-hexadecanoic acid
type: Class
formula: C16H31ClO3
inchi: InChI=1S/C16H31ClO3/c1-2-3-4-9-12-15(18)14(17)11-8-6-5-7-10-13-16(19)20/h14-15,18H,2-13H2,1H3,(H,19,20)
inchikey: YTOQELMVXKVDDX-UHFFFAOYSA-N
monoisotopicmass: 3.06196174E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_34508

18-fluoro-octadecanoic acid
type: Class
formula: C18H35O2F
inchi: InChI=1S/C18H35FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-17H2,(H,20,21)
inchikey: GYUYQQCJINXTSG-UHFFFAOYSA-N
monoisotopicmass: 3.02262109E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

2-chloro-palmitic acid
type: Class
formula: C16H31ClO2
inchi: InChI=1S/C16H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
inchikey: LDQUHRSWFMWRNG-UHFFFAOYSA-N
monoisotopicmass: 2.90201259E2
label: 2-chlorohexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109

10-fluoro-capric acid
type: Class
formula: C10H19FO2
inchi: InChI=1S/C10H19FO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)
inchikey: LXJHQFGNWFLQTR-UHFFFAOYSA-N
monoisotopicmass: 1.90136909E2
label: 10-fluoro-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_137794

14-fluoro-myristic acid
type: Class
formula: C14H27FO2
inchi: InChI=1S/C14H27FO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h1-13H2,(H,16,17)
inchikey: MFWHHTJGSBBVFN-UHFFFAOYSA-N
monoisotopicmass: 2.46199509E2
label: 14-fluoro-tetradecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_169224

16-fluoro-7Z-hexadecenoic acid
type: Class
formula: C16H29FO2
inchi: InChI=1S/C16H29FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h2,4H,1,3,5-15H2,(H,18,19)/b4-2-
inchikey: IOVAKPNDTNJMGW-RQOWECAXSA-N
monoisotopicmass: 2.72215159E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

16-fluoro-9Z-hexadecenoic acid
type: Class
formula: C16H29FO2
inchi: InChI=1S/C16H29FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3H,2,4-15H2,(H,18,19)/b3-1-
inchikey: RDQBKFIOEQYUSG-IWQZZHSRSA-N
monoisotopicmass: 2.72215159E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

18-fluoro-9Z,12Z-octadecadienoic acid
type: Class
formula: C18H31FO2
inchi: InChI=1S/C18H31FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5,7H,3-4,6,8-17H2,(H,20,21)/b2-1-,7-5-
inchikey: XVXSJURWEJNUMY-PQZOIKATSA-N
monoisotopicmass: 2.98230809E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_137802

20-fluoro-9Z-eicosenoic acid
type: Class
formula: C20H37FO2
inchikey: VPTLBQZTVHYNKN-RQOWECAXSA-N
monoisotopicmass: 3.28277759E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_187690

20-fluoro-11Z-eicosenoic acid
type: Class
formula: C20H37FO2
inchikey: RVGXQPKNVYMEAH-IWQZZHSRSA-N
monoisotopicmass: 3.28277759E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

9-hydroxy-10-chloro-hexadecanoic acid
type: Class
formula: C16H31ClO3
inchi: InChI=1S/C16H31ClO3/c1-2-3-4-8-11-14(17)15(18)12-9-6-5-7-10-13-16(19)20/h14-15,18H,2-13H2,1H3,(H,19,20)
inchikey: ZVJSWTPSSQCNAZ-UHFFFAOYSA-N
monoisotopicmass: 3.06196174E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109

9-chloro-10-hydroxy-octadecanoic acid
type: Class
formula: C18H35ClO3
inchi: InChI=1S/C18H35ClO3/c1-2-3-4-5-8-11-14-17(20)16(19)13-10-7-6-9-12-15-18(21)22/h16-17,20H,2-15H2,1H3,(H,21,22)
inchikey: OBJQYZRZIIFTBJ-UHFFFAOYSA-N
monoisotopicmass: 3.34227474E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

9-hydroxy-10-chloro-octadecanoic acid
type: Class
formula: C18H35ClO3
inchi: InChI=1S/C18H35ClO3/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,20H,2-15H2,1H3,(H,21,22)
inchikey: JNXUGCXVWKKTJV-UHFFFAOYSA-N
monoisotopicmass: 3.34227474E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

11-hydroxy-12-chloro-octadecanoic acid
type: Class
formula: C18H35ClO3
inchi: InChI=1S/C18H35ClO3/c1-2-3-4-10-13-16(19)17(20)14-11-8-6-5-7-9-12-15-18(21)22/h16-17,20H,2-15H2,1H3,(H,21,22)
inchikey: LFMFCAVRKLJSLW-UHFFFAOYSA-N
monoisotopicmass: 3.34227474E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

11-chloro-12-hydroxy-octadecanoic acid
type: Class
formula: C18H35ClO3
inchi: InChI=1S/C18H35ClO3/c1-2-3-4-11-14-17(20)16(19)13-10-8-6-5-7-9-12-15-18(21)22/h16-17,20H,2-15H2,1H3,(H,21,22)
inchikey: ORELREQLYAGMOB-UHFFFAOYSA-N
monoisotopicmass: 3.34227474E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

9,10-dichloro-octadecanoic acid
type: Class
formula: C18H34Cl2O2
inchi: InChI=1S/C18H34Cl2O2/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)
inchikey: IOVDLGFDMIRNLE-UHFFFAOYSA-N
monoisotopicmass: 3.52193587E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_185524

7,8-dichloro-hexadecanoic acid
type: Class
formula: C16H30Cl2O2
inchi: InChI=1S/C16H30Cl2O2/c1-2-3-4-5-6-8-11-14(17)15(18)12-9-7-10-13-16(19)20/h14-15H,2-13H2,1H3,(H,19,20)
inchikey: IWIVTQOROAIDTG-UHFFFAOYSA-N
monoisotopicmass: 3.24162287E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_187821

5,6-dichloro-tetradecanoic acid
type: Class
formula: C14H26Cl2O2
inchi: InChI=1S/C14H26Cl2O2/c1-2-3-4-5-6-7-9-12(15)13(16)10-8-11-14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
inchikey: MBWXQZXGUAFIDF-UHFFFAOYSA-N
monoisotopicmass: 2.96130986E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_187007

3,4-dichloro-tridecanoic acid
type: Class
formula: C13H24Cl2O2
inchi: InChI=1S/C13H24Cl2O2/c1-2-3-4-5-6-7-8-9-11(14)12(15)10-13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
inchikey: LVHXZABYFGYKLF-UHFFFAOYSA-N
monoisotopicmass: 2.82115336E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_180455

9,10,12,13-tetrachloro-octadecanoic acid
type: Class
formula: C18H32Cl4O2
inchi: InChI=1S/C18H32Cl4O2/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17H,2-13H2,1H3,(H,23,24)
inchikey: FRSRMUYUIAXUAX-UHFFFAOYSA-N
monoisotopicmass: 4.20115643E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

5,6,8,9-tetrachloro-tetradecanoic acid
type: Class
formula: C14H24Cl4O2
inchi: InChI=1S/C14H24Cl4O2/c1-2-3-4-6-10(15)12(17)9-13(18)11(16)7-5-8-14(19)20/h10-13H,2-9H2,1H3,(H,19,20)
inchikey: QHTKGYPZKJWJFA-UHFFFAOYSA-N
monoisotopicmass: 3.64053042E2
subclass of: https://www.lipidmaps.org/rdf/category/10109

8,12-dihydroxy-9-chloro-5Z,10Z,14Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H31ClO4
inchi: InChI=1S/C20H31ClO4/c1-2-3-4-5-6-9-12-17(22)15-16-18(21)19(23)13-10-7-8-11-14-20(24)25/h3-4,6-7,9-10,15-19,22-23H,2,5,8,11-14H2,1H3,(H,24,25)/b4-3-,9-6-,10-7-,16-15-
inchikey: BEZAFRRJMXICCZ-NFFKABDNSA-N
monoisotopicmass: 3.70191089E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_187460

8,12-dihydroxy-11-chloro-5Z,9Z,14Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H31ClO4
inchi: InChI=1S/C20H31ClO4/c1-2-3-4-5-6-10-13-19(23)18(21)16-15-17(22)12-9-7-8-11-14-20(24)25/h3-4,6-7,9-10,15-19,22-23H,2,5,8,11-14H2,1H3,(H,24,25)/b4-3-,9-7-,10-6-,16-15-
inchikey: HJEQDKXCQTVINQ-SVPNRNRPSA-N
monoisotopicmass: 3.70191089E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_187860

3,3-dichloro-propanoic acid
type: Class
formula: C3H4Cl2O2
inchi: InChI=1S/C3H4Cl2O2/c4-2(5)1-3(6)7/h2H,1H2,(H,6,7)
inchikey: HFPLCFMATPQWMD-UHFFFAOYSA-N
monoisotopicmass: 1.41958836E2
label: 3,3-dichloro-propionic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_169873

2-chloro-acetic acid
type: Class
formula: C2H3ClO2
inchi: InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
inchikey: FOCAUTSVDIKZOP-UHFFFAOYSA-N
monoisotopicmass: 9.3982158E1
label: 2-chloro-ethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_27869

2-chloro-2-propenoic acid
type: Class
formula: C3H3ClO2
inchi: InChI=1S/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6)
inchikey: SZTBMYHIYNGYIA-UHFFFAOYSA-N
monoisotopicmass: 1.05982158E2
label: 2-chloroacrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_73963

2,2-dichloroacetic acid
type: Class
formula: C2H2Cl2O2
inchi: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
inchikey: JXTHNDFMNIQAHM-UHFFFAOYSA-N
monoisotopicmass: 1.27943186E2
label: Dichloroacetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_36386

(E)-3-chloroacrylic acid
type: Class
formula: C3H3ClO2
inchi: InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
inchikey: MHMUCYJKZUZMNJ-OWOJBTEDSA-N
monoisotopicmass: 1.05982158E2
label: 3-chloro-2E-propenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

(Z)-2,3-dichloroacrylic acid
type: Class
formula: C3H2Cl2O2
inchi: InChI=1S/C3H2Cl2O2/c4-1-2(5)3(6)7/h1H,(H,6,7)/b2-1-
inchikey: YQYHCJZVJNOGBP-UPHRSURJSA-N
monoisotopicmass: 1.39943186E2
label: 2,3-dichloro-2Z-propenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

3,3-dichloro-2-propenoic acid
type: Class
formula: C3H2Cl2O2
inchi: InChI=1S/C3H2Cl2O2/c4-2(5)1-3(6)7/h1H,(H,6,7)
inchikey: HYODZVPUCNBWNY-UHFFFAOYSA-N
monoisotopicmass: 1.39943186E2
label: 3,3-dichloroacrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_186566

2-bromoacetic acid
type: Class
formula: C2H3BrO2
inchi: InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
inchikey: KDPAWGWELVVRCH-UHFFFAOYSA-N
monoisotopicmass: 1.3793164E2
label: 2-bromoethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109

3-bromo-2E-acrylic acid
type: Class
formula: C3H3BrO2
inchi: InChI=1S/C3H3BrO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
inchikey: POAWTYXNXPEWCO-OWOJBTEDSA-N
monoisotopicmass: 1.4993164E2
label: 3-bromo-2E-propenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_195735

2,2-dibromoacetic acid
type: Class
formula: C2H2Br2O2
inchi: InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)
inchikey: SIEILFNCEFEENQ-UHFFFAOYSA-N
monoisotopicmass: 2.1584215E2
label: 2,2-dibromoethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_90124

2,3,3-tribromoacrylic acid
type: Class
formula: C3HBr3O2
inchi: InChI=1S/C3HBr3O2/c4-1(2(5)6)3(7)8/h(H,7,8)
inchikey: UKFXMSBXHCEXIK-UHFFFAOYSA-N
monoisotopicmass: 3.0575266E2
label: 2,3,3-tribromopropenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

3,3-dibromo-2-propenoic acid
type: Class
formula: C3H2Br2O2
inchi: InChI=1S/C3H2Br2O2/c4-2(5)1-3(6)7/h1H,(H,6,7)
inchikey: VWWPGQPTCCQNIO-UHFFFAOYSA-N
monoisotopicmass: 2.2784215E2
label: 3,3-dibromoacrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

3-bromo-2E-heptenoic acid
type: Class
formula: C7H11BrO2
inchi: InChI=1S/C7H11BrO2/c1-2-3-4-6(8)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)/b6-5+
inchikey: ZWQSWMXYEPWSRT-AATRIKPKSA-N
monoisotopicmass: 2.0599424E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

3-bromo-2E-nonenoic acid
type: Class
formula: C9H15BrO2
inchi: InChI=1S/C9H15BrO2/c1-2-3-4-5-6-8(10)7-9(11)12/h7H,2-6H2,1H3,(H,11,12)/b8-7+
inchikey: FSGDUVOQJQYMNR-BQYQJAHWSA-N
monoisotopicmass: 2.3402554E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_169656

3-bromo-2Z-nonenoic acid
type: Class
formula: C9H15BrO2
inchi: InChI=1S/C9H15BrO2/c1-2-3-4-5-6-8(10)7-9(11)12/h7H,2-6H2,1H3,(H,11,12)/b8-7-
inchikey: FSGDUVOQJQYMNR-FPLPWBNLSA-N
monoisotopicmass: 2.3402554E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

2-(dibromomethylene)hexanoic acid
type: Class
formula: C7H10Br2O2
inchi: InChI=1S/C7H10Br2O2/c1-2-3-4-5(6(8)9)7(10)11/h2-4H2,1H3,(H,10,11)
inchikey: UCMKMXBMPRBGRH-UHFFFAOYSA-N
monoisotopicmass: 2.8390475E2
label: 3,3-Dibromo-2-n-butylacrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

2-(dibromomethylene)octanoic acid
type: Class
formula: C9H14Br2O2
inchi: InChI=1S/C9H14Br2O2/c1-2-3-4-5-6-7(8(10)11)9(12)13/h2-6H2,1H3,(H,12,13)
inchikey: MFKDPSRYICTYKE-UHFFFAOYSA-N
monoisotopicmass: 3.1193605E2
label: 3,3-Dibromo-2-n-hexylacrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

9,10-dibromo-octadecanoic acid
type: Class
formula: C18H34Br2O2
inchi: InChI=1S/C18H34Br2O2/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)
inchikey: UXHXSKUOVZUHBJ-UHFFFAOYSA-N
monoisotopicmass: 4.40092551E2
label: 9,10-dibromo-stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_165396

9,10,12,13-tetrabromo-octadecanoic acid
type: Class
formula: C18H32Br4O2
inchi: InChI=1S/C18H32Br4O2/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17H,2-13H2,1H3,(H,23,24)
inchikey: HTORNZPNCYXGMR-UHFFFAOYSA-N
monoisotopicmass: 5.9591357E2
label: 9,10,12,13-tetrabromo-stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_165395

Methyl (5E,17E)-18-bromo-octadeca-5,17-diene-15-ynoate
type: Class
formula: C19H29O2Br
inchi: InChI=1S/C19H29BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h9,11,16,18H,2-8,10,13,15,17H2,1H3/b11-9+,18-16+
inchikey: RJHPNNYGRMJAPM-GEFYFZSISA-N
monoisotopicmass: 3.6813509E2
label: Methyl 18-bromo-octadeca-5E,17E-diene-15-ynoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

(5E,17Z)-18-bromo-octadeca-5,17-diene-15-ynoic acid
type: Class
formula: C19H29BrO2
inchi: InChI=1S/C19H29BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h9,11,16,18H,2-8,10,13,15,17H2,1H3/b11-9+,18-16-
inchikey: RJHPNNYGRMJAPM-MZGZWARZSA-N
monoisotopicmass: 3.6813509E2
label: 18-bromo-octadeca-5E,17Z-diene-15-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

Methyl 18-bromooctadeca-5,7,17-triynoate
type: Class
formula: C18H23O2Br
inchi: InChI=1S/C18H23BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,11-14,16H2,(H,20,21)
inchikey: PMILLCBGPQOPQV-UHFFFAOYSA-N
monoisotopicmass: 3.5008814E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

Methyl 16,18-dibromo-15Z,17E-octadecadien-5,7-diynoate
type: Class
formula: C19H24O2Br2
inchi: InChI=1S/C19H24Br2O2/c1-23-19(22)15-13-11-9-7-5-3-2-4-6-8-10-12-14-18(21)16-17-20/h14,16-17H,2,4,6,8,10-13,15H2,1H3/b17-16+,18-14-
inchikey: GBWKQJGRPRQCAJ-WUWWXPNFSA-N
monoisotopicmass: 4.420143E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

Methyl 18,18-dibromo-17-octadecen-5,7-diynoate
type: Class
formula: C19H26O2Br2
inchi: InChI=1S/C19H26Br2O2/c1-23-19(22)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h16H,2-4,6,8,10,12-15,17H2,1H3
inchikey: JBWUHDWKJDUVAJ-UHFFFAOYSA-N
monoisotopicmass: 4.4402995E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

Methyl 18-bromo-9R-hydroxy-12,13-trans-epoxy-10E,15Z-octadecadien-17-ynoate
type: Class
formula: C19H27O4Br
inchi: InChI=1S/C19H27BrO4/c1-23-19(22)12-8-4-2-3-6-10-16(21)13-14-18-17(24-18)11-7-5-9-15-20/h5,7,13-14,16-18,21H,2-4,6,8,10-12H2,1H3/b7-5-,14-13+/t16-,17+,18+/m1/s1
inchikey: KRQDPLDNWIVONQ-WZAPIYLESA-N
monoisotopicmass: 3.9810927E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

Methyl 18-bromo-5,6-trans-endomethylene-7,11,15-trimethyl-8E,10Z-octadecadien-17-ynoate
type: Class
formula: C23H35O2Br
inchi: InChI=1S/C23H35BrO2/c1-18(9-5-10-19(2)12-8-16-24)11-6-13-20(3)22-17-21(22)14-7-15-23(25)26-4/h6,11,13,19-22H,5,7,9-10,12,14-15,17H2,1-4H3/b13-6+,18-11-/t19?,20?,21-,22+/m0/s1
inchikey: QKSQHUJBUPFKLU-FVVIKQHTSA-N
monoisotopicmass: 4.22182041E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_186324

(12Z,15S,18S)-15-hydroxy-18-bromo-12,16,17-octadecatrienoic acid
type: Class
formula: C18H29BrO3
inchi: InChI=1S/C18H29BrO3/c19-16-12-14-17(20)13-10-8-6-4-2-1-3-5-7-9-11-15-18(21)22/h8,10,14,16-17,20H,1-7,9,11,13,15H2,(H,21,22)/b10-8-/t12-,17+/m1/s1
inchikey: RBYYPRIJRZKHRI-VWVZPCDASA-N
monoisotopicmass: 3.72130005E2
label: 15S-hydroxy-18-bromo-12Z,16,17S-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

(13E,15R,18R)-15-hydroxy-18-bromo-13,16,17-octadecatrienoic acid
type: Class
formula: C18H29BrO3
inchi: InChI=1S/C18H29BrO3/c19-16-12-14-17(20)13-10-8-6-4-2-1-3-5-7-9-11-15-18(21)22/h10,13-14,16-17,20H,1-9,11,15H2,(H,21,22)/b13-10+/t12-,17+/m0/s1
inchikey: SDLIXPWBLXJLCF-QWVWDTGPSA-N
monoisotopicmass: 3.72130005E2
label: 15R-hydroxy-18-bromo-13E,16,17R-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

6-bromo-23-methyl-tetracosa-5E,9Z-dienoic acid
type: Class
formula: C25H45BrO2
inchi: InChI=1S/C25H45BrO2/c1-23(2)19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-24(26)21-17-18-22-25(27)28/h12,14,21,23H,3-11,13,15-20,22H2,1-2H3,(H,27,28)/b14-12-,24-21+
inchikey: JWANDAJURWLYSL-NDOKMQEHSA-N
monoisotopicmass: 4.56260291E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_141507

6-bromo-24-methyl-pentacosa-5E,9Z-dienoic acid
type: Class
formula: C26H47BrO2
inchi: InChI=1S/C26H47BrO2/c1-24(2)20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-25(27)22-18-19-23-26(28)29/h13,15,22,24H,3-12,14,16-21,23H2,1-2H3,(H,28,29)/b15-13-,25-22+
inchikey: ZAGMEIUCTJURSH-ASIOATAHSA-N
monoisotopicmass: 4.70275941E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

6-bromo-25-methyl-hexacosa-5E,9Z-dienoic acid
type: Class
formula: C27H49O2Br
inchi: InChI=1S/C27H49BrO2/c1-25(2)21-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-22-26(28)23-19-20-24-27(29)30/h14,16,23,25H,3-13,15,17-22,24H2,1-2H3,(H,29,30)/b16-14-,26-23+
inchikey: DCBADIMCZDEJRA-JVRRYMHASA-N
monoisotopicmass: 4.84291591E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

6-bromo-eicosa-5E,9Z-dienoic acid
type: Class
formula: C20H35BrO2
inchi: InChI=1S/C20H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(21)17-14-15-18-20(22)23/h11-12,17H,2-10,13-16,18H2,1H3,(H,22,23)/b12-11-,19-17+
inchikey: KFWIFLAWUCOXPE-DLYFVKKFSA-N
monoisotopicmass: 3.86182041E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

6-bromo-heneicosa-5E,9Z-dienoic acid
type: Class
formula: C21H37BrO2
inchi: InChI=1S/C21H37BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)18-15-16-19-21(23)24/h12-13,18H,2-11,14-17,19H2,1H3,(H,23,24)/b13-12-,20-18+
inchikey: CHDNELKYCOHVFT-QXZHCCGNSA-N
monoisotopicmass: 4.00197691E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_187832

6-bromo-docosa-5E,9Z-dienoic acid
type: Class
formula: C22H39BrO2
inchi: InChI=1S/C22H39BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)19-16-17-20-22(24)25/h13-14,19H,2-12,15-18,20H2,1H3,(H,24,25)/b14-13-,21-19+
inchikey: OFKABAMHUKOKMV-LFJSLNKLSA-N
monoisotopicmass: 4.14213341E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_187487

6-bromo-tricosa-5E,9Z-dienoic acid
type: Class
formula: C23H41BrO2
inchi: InChI=1S/C23H41BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)20-17-18-21-23(25)26/h14-15,20H,2-13,16-19,21H2,1H3,(H,25,26)/b15-14-,22-20+
inchikey: RVIBARJQFCSUKD-RPKIDODFSA-N
monoisotopicmass: 4.28228991E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_184694

6-bromo-tetracosa-5E,9Z-dienoic acid
type: Class
formula: C24H43BrO2
inchi: InChI=1S/C24H43BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24(26)27/h15-16,21H,2-14,17-20,22H2,1H3,(H,26,27)/b16-15-,23-21+
inchikey: OINPZQORURIPFB-UNYJLYLKSA-N
monoisotopicmass: 4.42244641E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_189791

6-bromo-pentacosa-5E,9Z-dienoic acid
type: Class
formula: C25H45BrO2
inchi: InChI=1S/C25H45BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)22-19-20-23-25(27)28/h16-17,22H,2-15,18-21,23H2,1H3,(H,27,28)/b17-16-,24-22+
inchikey: VRACWEMNOVUYQJ-YIRKJRPPSA-N
monoisotopicmass: 4.56260291E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_177109

6-Bromo-5E,9Z,13Z-docosatrienoic acid
type: Class
formula: C22H37BrO2
inchi: InChI=1S/C22H37BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)19-16-17-20-22(24)25/h9-10,13-14,19H,2-8,11-12,15-18,20H2,1H3,(H,24,25)/b10-9-,14-13-,21-19+
inchikey: NAMWJEXZJJYVSY-DONPXYLZSA-N
monoisotopicmass: 4.12197691E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_186479

6-Bromo-5E,9Z,13Z,24Z-heptacosatetraenoic acid
type: Class
formula: C26H43BrO2
inchikey: REENJHAXVDBJPL-PTVSRFBUSA-N
monoisotopicmass: 4.66244641E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

6-Bromo-5E,9Z,13Z,24Z-octacosatetraenoic acid
type: Class
formula: C27H45BrO2
inchikey: JHDZJJWXTCPEHQ-LHICSDSKSA-N
monoisotopicmass: 4.80260291E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

18-bromo-8E,17E,19Z-tricosatrien-4,6-diynoic acid
type: Class
formula: C23H31BrO2
inchi: InChI=1S/C23H31BrO2/c1-2-3-16-19-22(24)20-17-14-12-10-8-6-4-5-7-9-11-13-15-18-21-23(25)26/h5,7,16,19-20H,2-4,6,8,10,12,14,17-18,21H2,1H3,(H,25,26)/b7-5+,19-16-,22-20+
inchikey: PCGVSAVRGNUUGL-BSFLTSGKSA-N
monoisotopicmass: 4.18150741E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

Ethyl 18-bromo-8E,17E,19Z-tricosatrien-4,6-diynoate
type: Class
formula: C25H35O2Br
inchi: InChI=1S/C25H35BrO2/c1-3-5-18-21-24(26)22-19-16-14-12-10-8-6-7-9-11-13-15-17-20-23-25(27)28-4-2/h7,9,18,21-22H,3-6,8,10,12,14,16,19-20,23H2,1-2H3/b9-7+,21-18-,24-22+
inchikey: GHVRQXGOEFTAJV-MDCZTPBQSA-N
monoisotopicmass: 4.46182041E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_186564

Ethyl 16-hydroxy-18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate
type: Class
formula: C25H35O3Br
inchi: InChI=1S/C25H35BrO3/c1-3-5-16-19-23(26)22-24(27)20-17-14-12-10-8-6-7-9-11-13-15-18-21-25(28)29-4-2/h6-7,16,19,22,24,27H,3-5,8,10,12,14,17-18,20-21H2,1-2H3/b7-6+,19-16-,23-22+
inchikey: PREFNHDXWDEDCP-KBAUWEJJSA-N
monoisotopicmass: 4.62176956E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_185424

16-hydroxy-18-bromo-8E,17E19Z-tricosatrien-4,6-diynoic acid
type: Class
formula: C23H31BrO3
inchi: InChI=1S/C23H31BrO3/c1-2-3-14-17-21(24)20-22(25)18-15-12-10-8-6-4-5-7-9-11-13-16-19-23(26)27/h4-5,14,17,20,22,25H,2-3,6,8,10,12,15-16,18-19H2,1H3,(H,26,27)/b5-4+,17-14-,21-20+
inchikey: OPRGCPSNLIJMIG-YCUHIKMESA-N
monoisotopicmass: 4.34145656E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109

16-bromo-7E,15E-hexadecadien-5,13-diynoic acid
type: Class
formula: C16H19BrO2
inchi: InChI=1S/C16H19BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h2,4,13,15H,1,3,5,7,10,12,14H2,(H,18,19)/b4-2+,15-13+
inchikey: SZAPXCHRVBBPHP-GRRSNZMVSA-N
monoisotopicmass: 3.2205684E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_196586

16-bromo-7E,11E,15E-hexadecatrien-5,13-diynoic acid
type: Class
formula: C16H17BrO2
inchi: InChI=1S/C16H17BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h2,4-5,7,13,15H,1,3,10,12,14H2,(H,18,19)/b4-2+,7-5+,15-13+
inchikey: ZCXZAAWYVFPLMM-GAQMPSIGSA-N
monoisotopicmass: 3.2004119E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

16-bromo-7E,11E,15Z-hexadecatrien-5,13-diynoic acid
type: Class
formula: C16H17BrO2
inchi: InChI=1S/C16H17BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h2,4-5,7,13,15H,1,3,10,12,14H2,(H,18,19)/b4-2+,7-5+,15-13-
inchikey: ZCXZAAWYVFPLMM-RIYGMYGFSA-N
monoisotopicmass: 3.2004119E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

14,16-dibromo-7E,13E,15Z-hexadecatrien-5-ynoic acid
type: Class
formula: C16H20Br2O2
inchi: InChI=1S/C16H20Br2O2/c17-14-13-15(18)11-9-7-5-3-1-2-4-6-8-10-12-16(19)20/h1-2,11,13-14H,3,5,7-10,12H2,(H,19,20)/b2-1+,14-13-,15-11+
inchikey: VDRFUGQYPWWVGI-FRJBALQRSA-N
monoisotopicmass: 4.01983E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

14,16-dibromo-7E,9E,13E,15Z-hexadecatetraen-5-ynoic acid
type: Class
formula: C16H18Br2O2
inchi: InChI=1S/C16H18Br2O2/c17-14-13-15(18)11-9-7-5-3-1-2-4-6-8-10-12-16(19)20/h1-3,5,11,13-14H,7-10,12H2,(H,19,20)/b2-1+,5-3+,14-13-,15-11+
inchikey: IHOLWXBXQZKMFH-IYFNMWFESA-N
monoisotopicmass: 3.9996735E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

6,14,16-tribromo-5Z,7E,9E,13E,15Z-hexadecapentaenoic acid
type: Class
formula: C16H19Br3O2
inchi: InChI=1S/C16H19Br3O2/c17-13-12-15(19)9-5-3-1-2-4-8-14(18)10-6-7-11-16(20)21/h1-2,4,8-10,12-13H,3,5-7,11H2,(H,20,21)/b2-1+,8-4+,13-12-,14-10-,15-9+
inchikey: PCGDQKOBIPNGQL-LMDXRQAKSA-N
monoisotopicmass: 4.7989351E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

9,9-dibromo-8-nonenoic acid
type: Class
formula: C9H14Br2O2
inchi: InChI=1S/C9H14Br2O2/c10-8(11)6-4-2-1-3-5-7-9(12)13/h6H,1-5,7H2,(H,12,13)
inchikey: VKDBKWUDZFGRDB-UHFFFAOYSA-N
monoisotopicmass: 3.1193605E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

Methyl 18-bromo-17E-octadecen-5,7,15-triynoate
type: Class
formula: C19H23O2Br
inchi: InChI=1S/C19H23BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h16,18H,2-4,6,8,10,13,15,17H2,1H3/b18-16+
inchikey: MVCJGXSDCQYJLT-FBMGVBCBSA-N
monoisotopicmass: 3.6208814E2
label: Methyl 18-bromooctadec-17-en-5,7,15-triynoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

Ethyl 18-bromo-17E-octadecen-5,7,15-triynoate
type: Class
formula: C20H25BrO2
inchi: InChI=1S/C20H25BrO2/c1-2-23-20(22)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21/h17,19H,2-5,7,9,11,14,16,18H2,1H3/b19-17+
inchikey: RQDVGKQXVLWXLM-HTXNQAPBSA-N
monoisotopicmass: 3.7610379E2
label: Ethyl 18-bromooctadec-17-en-5,7,15-triynoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

18,18-dibromo-9E,17-octadecadien-5,7-diynoic acid
type: Class
formula: C18H22Br2O2
inchi: InChI=1S/C18H22Br2O2/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2,15H,3,5,7,9,11-14,16H2,(H,21,22)/b2-1+
inchikey: BMEOSHPPYQPJIM-OWOJBTEDSA-N
monoisotopicmass: 4.2799865E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

Methyl 18,18-dibromo-9E,17-octadecadien-5,7-diynoate
type: Class
formula: C19H24O2Br2
inchi: InChI=1S/C19H24Br2O2/c1-23-19(22)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,16H,4,6,8,10,12-15,17H2,1H3/b3-2+
inchikey: XNQDEQWLQKGTCD-NSCUHMNNSA-N
monoisotopicmass: 4.420143E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

18-bromo-17Z-octadecen-5,7,15-triynoic acid
type: Class
formula: C18H21BrO2
inchi: InChI=1S/C18H21BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h15,17H,1-3,5,7,9,12,14,16H2,(H,20,21)/b17-15-
inchikey: OXVNISBZKQCMOO-ICFOKQHNSA-N
monoisotopicmass: 3.4807249E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

Methyl 18-bromo-17Z-octadecen-5,7,15-triynoate
type: Class
formula: C19H23O2Br
inchi: InChI=1S/C19H23BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h16,18H,2-4,6,8,10,13,15,17H2,1H3/b18-16-
inchikey: MVCJGXSDCQYJLT-VLGSPTGOSA-N
monoisotopicmass: 3.6208814E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

18-bromo-9E,17E-octadecadien-5,7,15-triynoic acid
type: Class
formula: C18H19BrO2
inchi: InChI=1S/C18H19BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,15,17H,3,5,7,9,12,14,16H2,(H,20,21)/b2-1+,17-15+
inchikey: FBQBLKRYQBDOAU-UUUWWEMDSA-N
monoisotopicmass: 3.4605684E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

Methyl 18-bromo-9E,17E-octadecadien-5,7,15-triynoate
type: Class
formula: C19H21O2Br
inchi: InChI=1S/C19H21BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h2-3,16,18H,4,6,8,10,13,15,17H2,1H3/b3-2+,18-16+
inchikey: NJEMPHLDPZLATA-GSQCLYJKSA-N
monoisotopicmass: 3.6007249E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

Methyl 18-bromo-9Z,17E-octadecadien-5,7,15-triynoate
type: Class
formula: C19H21O2Br
inchi: InChI=1S/C19H21BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h2-3,16,18H,4,6,8,10,13,15,17H2,1H3/b3-2-,18-16+
inchikey: NJEMPHLDPZLATA-NZOCAIPOSA-N
monoisotopicmass: 3.6007249E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

18-bromo-9Z,17E-octadecadien-5,7,15-triynoic acid
type: Class
formula: C18H19BrO2
inchi: InChI=1S/C18H19BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,15,17H,3,5,7,9,12,14,16H2,(H,20,21)/b2-1-,17-15+
inchikey: FBQBLKRYQBDOAU-JWAPFZNZSA-N
monoisotopicmass: 3.4605684E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

18-bromo-9Z,17Z-octadecadien-5,7,15-triynoic acid
type: Class
formula: C18H19BrO2
inchi: InChI=1S/C18H19BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,15,17H,3,5,7,9,12,14,16H2,(H,20,21)/b2-1-,17-15-
inchikey: FBQBLKRYQBDOAU-XAAUWTRYSA-N
monoisotopicmass: 3.4605684E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

18-bromo-9E,15E,17E-octadecatrien-5,7-diynoic acid
type: Class
formula: C18H21BrO2
inchi: InChI=1S/C18H21BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,11,13,15,17H,3,5,7,9,12,14,16H2,(H,20,21)/b2-1+,13-11+,17-15+
inchikey: JLONCFUADLRPHE-BKSUHFPWSA-N
monoisotopicmass: 3.4807249E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

Methyl 18-bromo-9E,15E,17E-octadecatrien-5,7-diynoate
type: Class
formula: C19H23O2Br
inchi: InChI=1S/C19H23BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h2-3,12,14,16,18H,4,6,8,10,13,15,17H2,1H3/b3-2+,14-12+,18-16+
inchikey: YKOBJMJJNKUNFF-FRUCDINQSA-N
monoisotopicmass: 3.6208814E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

18-bromo-13E,17E-octadecatrien-5,7,15-triynoic acid
type: Class
formula: C18H19BrO2
inchi: InChI=1S/C18H19BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h7,9,15,17H,1-3,5,12,14,16H2,(H,20,21)/b9-7+,17-15+
inchikey: ILLQTNBLZVKTRJ-YAMIPUGFSA-N
monoisotopicmass: 3.4605684E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

Methyl 18-bromo-13E,17E-octadecatrien-5,7,15-triynoate
type: Class
formula: C19H21O2Br
inchi: InChI=1S/C19H21BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h8,10,16,18H,2-4,6,13,15,17H2,1H3/b10-8+,18-16+
inchikey: GBLZMTKCMWRDCN-ISCDPQFYSA-N
monoisotopicmass: 3.6007249E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

18-bromo-15E,17E-octadecadien-5,7-diynoic acid
type: Class
formula: C18H23BrO2
inchi: InChI=1S/C18H23BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h11,13,15,17H,1-3,5,7,9,12,14,16H2,(H,20,21)/b13-11+,17-15+
inchikey: CKJUNWLHPMBFIC-SBLPRGNDSA-N
monoisotopicmass: 3.5008814E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

Methyl 18-bromo-15E,17E-octadecadien-5,7-diynoate
type: Class
formula: C19H25O2Br
inchi: InChI=1S/C19H25BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h12,14,16,18H,2-4,6,8,10,13,15,17H2,1H3/b14-12+,18-16+
inchikey: FNTJNYUUZXUSJG-IGPVVLDESA-N
monoisotopicmass: 3.6410379E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102
subclass of: https://www.lipidmaps.org/rdf/category/10710

Iodoacetic acid
type: Class
formula: C2H3IO2
inchi: InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
inchikey: JDNTWHVOXJZDSN-UHFFFAOYSA-N
monoisotopicmass: 1.8591777E2
label: Iodoethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_74571

Diiodoacetic acid
type: Class
formula: C2H2I2O2
inchi: InChI=1S/C2H2I2O2/c3-1(4)2(5)6/h1H,(H,5,6)
inchikey: BQAMFNQVNXPFFH-UHFFFAOYSA-N
monoisotopicmass: 3.11814409E2
label: Diiodoethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109

3-iodo-2E-acrylic acid
type: Class
formula: C3H3IO2
inchi: InChI=1S/C3H3IO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
inchikey: IBFDLVHJHUMSAC-OWOJBTEDSA-N
monoisotopicmass: 1.9791777E2
label: 3-iodo-2E-propenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_165394

Ethyl 3-iodo-2E-acrylate
type: Class
formula: C5H7IO2
inchi: InChI=1S/C5H7IO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3+
inchikey: AELYFQSZXFFNGP-ONEGZZNKSA-N
monoisotopicmass: 2.2594907E2
label: Ethyl 3-iodo-2E-propenoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_187432

Ethyl 3,3-diiodo-2-propenoate
type: Class
formula: C5H6I2O2
inchi: InChI=1S/C5H6I2O2/c1-2-9-5(8)3-4(6)7/h3H,2H2,1H3
inchikey: ULBLUKDUPXNGMA-UHFFFAOYSA-N
monoisotopicmass: 3.5184571E2
label: Ethyl 3,3-diiodoacrylate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_187247

3,3-diiodo-2-propenoic acid
type: Class
formula: C3H2I2O2
inchi: InChI=1S/C3H2I2O2/c4-2(5)1-3(6)7/h1H,(H,6,7)
inchikey: PMILBWLQIZVIJU-UHFFFAOYSA-N
monoisotopicmass: 3.23814409E2
label: 3,3-diiodoacrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_176854

(Z) 2,3-diiodoacrylic acid
type: Class
formula: C3H2I2O2
inchi: InChI=1S/C3H2I2O2/c4-1-2(5)3(6)7/h1H,(H,6,7)/b2-1-
inchikey: UAEPAJNCOGKTLQ-UPHRSURJSA-N
monoisotopicmass: 3.23814409E2
label: 2,3-diiodo-2Z-propenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

Ethyl (Z) 2,3-diiodoacrylate
type: Class
formula: C5H6I2O2
inchi: InChI=1S/C5H6I2O2/c1-2-9-5(8)4(7)3-6/h3H,2H2,1H3/b4-3-
inchikey: BGWAPSOQPCDAFQ-ARJAWSKDSA-N
monoisotopicmass: 3.5184571E2
label: Ethyl 2,3-diiodo-2Z-propenoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

2-Bromo-2-iodoacetic acid
type: Class
formula: C2H2BrIO2
inchi: InChI=1S/C2H2BrIO2/c3-1(4)2(5)6/h1H,(H,5,6)
inchikey: PMJXOVYMFHLFDD-UHFFFAOYSA-N
monoisotopicmass: 2.6382828E2
label: 2-Bromo-2-iodoethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109

Ethyl 2-Bromo-2-iodoacetate
type: Class
formula: C4H6BrIO2
inchi: InChI=1S/C4H6BrIO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
inchikey: CVMRTPHUCUFKLQ-UHFFFAOYSA-N
monoisotopicmass: 2.9185958E2
label: Ethyl 2-Bromo-2-iodoethanoate
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_191922

2-Bromo-2-iodoacetamide
type: Class
formula: C2H3BrINO
inchi: InChI=1S/C2H3BrINO/c3-1(4)2(5)6/h1H,(H2,5,6)
inchikey: XQMKVQDLGURGON-UHFFFAOYSA-N
monoisotopicmass: 2.62844263E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/10110

2-Bromo-2-chloroacetic acid
type: Class
formula: C2H2BrClO2
inchi: InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)
inchikey: GEHJBWKLJVFKPS-UHFFFAOYSA-N
monoisotopicmass: 1.71892668E2
label: 2-Bromo-2-chloroethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_64206

2-chloro-2-iodoacetamide
type: Class
formula: C2H3ClINO
inchi: InChI=1S/C2H3ClINO/c3-1(4)2(5)6/h1H,(H2,5,6)
inchikey: UWWIMPAKBITDPS-UHFFFAOYSA-N
monoisotopicmass: 2.18894781E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_186842

(2E,4E)-3-chlorohexa-2,4-dienedioic acid
type: Class
formula: C6H5O4Cl
inchi: InChI=1S/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/b2-1+,4-3+
inchikey: ICMVYBXQDUXEEE-MVJNYCIBSA-N
monoisotopicmass: 1.75987638E2
label: (E,E)-3-chloromuconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_38432

(2Z,4Z)-3-chlorohexa-2,4-dienedioic acid
type: Class
formula: C6H5O4Cl
inchi: InChI=1S/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/b2-1-,4-3-
inchikey: ICMVYBXQDUXEEE-LOKDLIDFSA-N
monoisotopicmass: 1.75987638E2
label: (Z,Z)-3-chloromuconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_38435

(2Z,4E)-2,3,5-trichlorohexa-2,4-dienedioic acid
type: Class
formula: C6H3O4Cl3
inchi: InChI=1S/C6H3Cl3O4/c7-2(4(9)6(12)13)1-3(8)5(10)11/h1H,(H,10,11)(H,12,13)/b3-1+,4-2-
inchikey: AHDWVTPNJCBFTN-TZFCGSKZSA-N
monoisotopicmass: 2.43909694E2
label: 2,3,5-trichloro-cis,cis-muconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_31069

(2E,4E)-2,4-dichlorohexa-2,4-dienedioic acid
type: Class
formula: C6H4O4Cl2
inchi: InChI=1S/C6H4Cl2O4/c7-3(2-5(9)10)1-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/b3-2+,4-1+
inchikey: FHXOPKKNGKBBKG-DXLKSGPOSA-N
monoisotopicmass: 2.09948666E2
label: 2,4-dichloro-cis,cis-muconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_17365

(E)-2,5-dichloro-4-oxo-hex-2-enedioic acid
type: Class
formula: C6H4O5Cl2
inchi: InChI=1S/C6H4Cl2O5/c7-2(5(10)11)1-3(9)4(8)6(12)13/h1,4H,(H,10,11)(H,12,13)/b2-1+
inchikey: PLPVRWUZGSFJJB-OWOJBTEDSA-N
monoisotopicmass: 2.25943581E2
label: 2,5-Dichloro-4-oxohex-2-enedioate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_177587

(2E,4Z)-3-chlorohexa-2,4-dienedioic acid
type: Class
formula: C6H5O4Cl
inchi: InChI=1S/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/b2-1-,4-3+
inchikey: ICMVYBXQDUXEEE-BXTBVDPRSA-N
monoisotopicmass: 1.75987638E2
label: 3-chloro-cis,cis-muconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI 1472

5-chloropentanoic acid
type: Class
formula: C5H9O2Cl
inchi: InChI=1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
inchikey: YSXDKDWNIPOSMF-UHFFFAOYSA-N
monoisotopicmass: 1.36029108E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_60701

2-bromobutanedioic acid;2-bromosuccinic acid
type: Class
formula: C4H5O4Br
inchi: InChI=1S/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)
inchikey: QQWGVQWAEANRTK-UHFFFAOYSA-N
monoisotopicmass: 1.9593712E2
label: bromosuccinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_73712

(2Z,4Z)-2,3,4,5-tetrachlorohexa-2,4-dienedioic acid
type: Class
formula: C6H2O4Cl4
inchi: InChI=1S/C6H2Cl4O4/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h(H,11,12)(H,13,14)/b3-1-,4-2-
inchikey: OPEJMVTXTHBTBS-CCAGOZQPSA-N
monoisotopicmass: 2.77870722E2
label: tetrachloro-cis,cis-muconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_26887

20-Fluoroeicosanoic acid
type: Class
formula: C20H39O2F
inchikey: SVYIZBOEYBHVGJ-UHFFFAOYSA-N
monoisotopicmass: 3.30293409E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_187662

(12E,15S,18S)-15-hydroxy-18-bromo-12,16,17-octadecatrienoic acid
type: Class
formula: C18H29O3Br
inchi: InChI=1S/C18H29BrO3/c19-16-12-14-17(20)13-10-8-6-4-2-1-3-5-7-9-11-15-18(21)22/h8,10,14,16-17,20H,1-7,9,11,13,15H2,(H,21,22)/b10-8+/t12-,17+/m1/s1
inchikey: RBYYPRIJRZKHRI-WTARSOORSA-N
monoisotopicmass: 3.72130005E2
label: 15S-hydroxy-18S-bromo-12E,16,17-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

(13Z,15R,18R)-15-hydroxy-18-bromo-13,16,17-octadecatrienoic acid
type: Class
formula: C18H29O3Br
inchi: InChI=1S/C18H29BrO3/c19-16-12-14-17(20)13-10-8-6-4-2-1-3-5-7-9-11-15-18(21)22/h10,13-14,16-17,20H,1-9,11,15H2,(H,21,22)/b13-10-/t12-,17+/m0/s1
inchikey: SDLIXPWBLXJLCF-BAVFYMBESA-N
monoisotopicmass: 3.72130005E2
label: 15R-hydroxy-18R-bromo-13Z,16,17-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/102

3-bromohexadecanoic acid
type: Class
formula: C16H31O2Br
inchi: InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15H,2-14H2,1H3,(H,18,19)
inchikey: RGAZRPDRVKDCPI-UHFFFAOYSA-N
monoisotopicmass: 3.34150741E2
subclass of: https://www.lipidmaps.org/rdf/category/10109
equivalent class: CHEBI_190119

18-Bromotricosa-8E,17E,19E-trien-4,6-diynoic acid
type: Class
formula: C23H31O2Br
inchi: InChI=1S/C23H31BrO2/c1-2-3-16-19-22(24)20-17-14-12-10-8-6-4-5-7-9-11-13-15-18-21-23(25)26/h5,7,16,19-20H,2-4,6,8,10,12,14,17-18,21H2,1H3,(H,25,26)/b7-5+,19-16+,22-20+
inchikey: PCGVSAVRGNUUGL-DNWNQRQHSA-N
monoisotopicmass: 4.18150741E2
label: Carduusyne B
subclass of: https://www.lipidmaps.org/rdf/category/10109

18-Bromo-16-hydroxytricosa-8E,17E,19E-trien-4,6-diynoic acid
type: Class
formula: C23H31O3Br
inchi: InChI=1S/C23H31BrO3/c1-2-3-14-17-21(24)20-22(25)18-15-12-10-8-6-4-5-7-9-11-13-16-19-23(26)27/h4-5,14,17,20,22,25H,2-3,6,8,10,12,15-16,18-19H2,1H3,(H,26,27)/b5-4+,17-14+,21-20+
inchikey: OPRGCPSNLIJMIG-LSKPYBFKSA-N
monoisotopicmass: 4.34145656E2
label: Carduusyne D
subclass of: https://www.lipidmaps.org/rdf/category/10109

2-chloro-stearic acid
type: Class
formula: C18H35O2Cl
inchi: InChI=1S/C18H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16H2,1H3,(H,20,21)
inchikey: DQNLLSNNESIVOE-UHFFFAOYSA-N
monoisotopicmass: 3.18232559E2
label: 2-chlorooctadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10109

9-chloro-24-methyl-pentacosa-5Z,9Z-dienoic acid
type: Class
formula: C26H47O2Cl
inchi: InChI=1S/C26H47ClO2/c1-24(2)20-16-12-9-7-5-3-4-6-8-10-13-17-21-25(27)22-18-14-11-15-19-23-26(28)29/h11,14,21,24H,3-10,12-13,15-20,22-23H2,1-2H3,(H,28,29)/b14-11-,25-21-
inchikey: YDKMOSJZGJOCGA-UMMJFUDPSA-N
monoisotopicmass: 4.26326459E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

9-chloro-25-methyl-hexacosa-5Z,9Z-dienoic acid
type: Class
formula: C27H49O2Cl
inchi: InChI=1S/C27H49ClO2/c1-25(2)21-17-13-10-8-6-4-3-5-7-9-11-14-18-22-26(28)23-19-15-12-16-20-24-27(29)30/h12,15,22,25H,3-11,13-14,16-21,23-24H2,1-2H3,(H,29,30)/b15-12-,26-22-
inchikey: HJSVRWAHHRAKKJ-IFHAIQBISA-N
monoisotopicmass: 4.40342109E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

9-chloro-24-methyl-hexacosa-5Z,9Z-dienoic acid
type: Class
formula: C27H49O2Cl
inchi: InChI=1S/C27H49ClO2/c1-3-25(2)21-17-13-10-8-6-4-5-7-9-11-14-18-22-26(28)23-19-15-12-16-20-24-27(29)30/h12,15,22,25H,3-11,13-14,16-21,23-24H2,1-2H3,(H,29,30)/b15-12-,26-22-
inchikey: HHRSTVVFGLMZHB-IFHAIQBISA-N
monoisotopicmass: 4.40342109E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

9-chloro-25-methyl-heptacosa-5Z,9Z-dienoic acid
type: Class
formula: C28H51O2Cl
inchi: InChI=1S/C28H51ClO2/c1-3-26(2)22-18-14-11-9-7-5-4-6-8-10-12-15-19-23-27(29)24-20-16-13-17-21-25-28(30)31/h13,16,23,26H,3-12,14-15,17-22,24-25H2,1-2H3,(H,30,31)/b16-13-,27-23-
inchikey: KWQRFKPRZDPKAA-ZCEBPDSFSA-N
monoisotopicmass: 4.54357759E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

6-Cl-iso 22:1 delta4
type: Class
formula: C22H41O2Cl
inchi: InChI=1S/C22H41ClO2/c1-20(2)16-12-10-8-6-4-3-5-7-9-11-13-17-21(23)18-14-15-19-22(24)25/h14,18,20-21H,3-13,15-17,19H2,1-2H3,(H,24,25)
inchikey: FFZCOHMEGKRJMY-UHFFFAOYSA-N
monoisotopicmass: 3.72279509E2
label: 6-chloro-20-methyl-4-heneicosenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

6-Cl-anteiso 22:1 delta4
type: Class
formula: C22H41O2Cl
inchi: InChI=1S/C22H41ClO2/c1-3-20(2)16-12-10-8-6-4-5-7-9-11-13-17-21(23)18-14-15-19-22(24)25/h14,18,20-21H,3-13,15-17,19H2,1-2H3,(H,24,25)
inchikey: MNHJXTIOECOELI-UHFFFAOYSA-N
monoisotopicmass: 3.72279509E2
label: 6-chloro-19-methyl-4-heneicosenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

6-Cl-anteiso 22:1 delta4
type: Class
formula: C23H43O2Cl
inchi: InChI=1S/C23H43ClO2/c1-3-21(2)17-13-11-9-7-5-4-6-8-10-12-14-18-22(24)19-15-16-20-23(25)26/h15,19,21-22H,3-14,16-18,20H2,1-2H3,(H,25,26)
inchikey: KZNKVVGQYWTOKI-UHFFFAOYSA-N
monoisotopicmass: 3.86295159E2
label: 6-chloro-20-methyl-4-docosenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109

2S-amino-tridecanoic acid
type: Class
formula: C13H27NO2
inchi: InChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16)/t12-/m0/s1
inchikey: JZXHUPALAOUFMA-LBPRGKRZSA-N
monoisotopicmass: 2.29204179E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_34313

10-amino-decanoic acid
type: Class
formula: C10H21NO2
inchi: InChI=1S/C10H21NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9,11H2,(H,12,13)
inchikey: XAUQWYHSQICPAZ-UHFFFAOYSA-N
monoisotopicmass: 1.87157229E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_191232

2-amino-decanoic acid
type: Class
formula: C10H21NO2
inchi: InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
inchikey: JINGUCXQUOKWKH-UHFFFAOYSA-N
monoisotopicmass: 1.87157229E2
subclass of: https://www.lipidmaps.org/rdf/category/10110

11-amino-undecanoic acid
type: Class
formula: C11H23NO2
inchi: InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)
inchikey: GUOSQNAUYHMCRU-UHFFFAOYSA-N
monoisotopicmass: 2.01172879E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_82387

12-amino-dodecanoic acid
type: Class
formula: C12H25NO2
inchi: InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
inchikey: PBLZLIFKVPJDCO-UHFFFAOYSA-N
monoisotopicmass: 2.15188529E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_42025

13-amino-tridecanoic acid
type: Class
formula: C13H27NO2
inchi: InChI=1S/C13H27NO2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h1-12,14H2,(H,15,16)
inchikey: YHNQOXAUNKFXNZ-UHFFFAOYSA-N
monoisotopicmass: 2.29204179E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_184283

2-amino-tetradecanoic acid
type: Class
formula: C14H29NO2
inchi: InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2-12,15H2,1H3,(H,16,17)
inchikey: BVXKPGXJOLWHFI-UHFFFAOYSA-N
monoisotopicmass: 2.43219829E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_165350

12-amino-octadecanoic acid
type: Class
formula: C18H37NO2
inchi: InChI=1S/C18H37NO2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17H,2-16,19H2,1H3,(H,20,21)
inchikey: YUQFYQHUZOPVPH-UHFFFAOYSA-N
monoisotopicmass: 2.99282429E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_183518

2-amino-octadecanoic acid
type: Class
formula: C18H37NO2
inchi: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16,19H2,1H3,(H,20,21)
inchikey: XRKBQVGBWJWJJJ-UHFFFAOYSA-N
monoisotopicmass: 2.99282429E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/102

9-amino-nonanoic acid
type: Class
formula: C9H19NO2
inchi: InChI=1S/C9H19NO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8,10H2,(H,11,12)
inchikey: VWPQCOZMXULHDM-UHFFFAOYSA-N
monoisotopicmass: 1.73141579E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_73740

3S-aminodecanoic acid
type: Class
formula: C10H21NO2
inchi: InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)/t9-/m0/s1
inchikey: SSKFRIVYCVHCQK-VIFPVBQESA-N
monoisotopicmass: 1.87157229E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_183585

9-amino-decanoic acid
type: Class
formula: C10H21NO2
inchi: InChI=1S/C10H21NO2/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
inchikey: FWPKWVUFQDXPBW-UHFFFAOYSA-N
monoisotopicmass: 1.87157229E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_137770

2R-aminoheptanoic acid
type: Class
formula: C7H15NO2
inchi: InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m1/s1
inchikey: RDFMDVXONNIGBC-ZCFIWIBFSA-N
monoisotopicmass: 1.45110279E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_73738

2S-aminoheptanoic acid
type: Class
formula: C7H15NO2
inchi: InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
inchikey: RDFMDVXONNIGBC-LURJTMIESA-N
monoisotopicmass: 1.45110279E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_40682

2-amino-heptanoic acid
type: Class
formula: C7H15NO2
inchi: InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
inchikey: RDFMDVXONNIGBC-UHFFFAOYSA-N
monoisotopicmass: 1.45110279E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_133223

2R-aminohexadecanoic acid
type: Class
formula: C16H33NO2
inchi: InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14,17H2,1H3,(H,18,19)/t15-/m1/s1
inchikey: XELWBYCKQCNAGY-OAHLLOKOSA-N
monoisotopicmass: 2.71251129E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_165351

2S-aminohexadecanoic acid
type: Class
formula: C16H33NO2
inchi: InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14,17H2,1H3,(H,18,19)/t15-/m0/s1
inchikey: XELWBYCKQCNAGY-HNNXBMFYSA-N
monoisotopicmass: 2.71251129E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_168863

2-amino-hexadecanoic acid
type: Class
formula: C16H33NO2
inchi: InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14,17H2,1H3,(H,18,19)
inchikey: XELWBYCKQCNAGY-UHFFFAOYSA-N
monoisotopicmass: 2.71251129E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_63776

3R-aminononanoic acid
type: Class
formula: C9H19NO2
inchi: InChI=1S/C9H19NO2/c1-2-3-4-5-6-8(10)7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m1/s1
inchikey: JSJXIPXCQNHXJA-MRVPVSSYSA-N
monoisotopicmass: 1.73141579E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_165352

3-amino-octanoic acid
type: Class
formula: C8H17NO2
inchi: InChI=1S/C8H17NO2/c1-2-3-4-5-7(9)6-8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
inchikey: FYHHDJRMDOBZJF-UHFFFAOYSA-N
monoisotopicmass: 1.59125929E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_73739

4R-aminopentanoic acid
type: Class
formula: C5H11NO2
inchi: InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
inchikey: ABSTXSZPGHDTAF-SCSAIBSYSA-N
monoisotopicmass: 1.17078979E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_178409

4S-aminopentanoic acid
type: Class
formula: C5H11NO2
inchi: InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
inchikey: ABSTXSZPGHDTAF-BYPYZUCNSA-N
monoisotopicmass: 1.17078979E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_178407

4-amino-pentanoic acid
type: Class
formula: C5H11NO2
inchi: InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
inchikey: ABSTXSZPGHDTAF-UHFFFAOYSA-N
monoisotopicmass: 1.17078979E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_178408

2R-aminotridecanoic acid
type: Class
formula: C13H27NO2
inchi: InChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16)/t12-/m1/s1
inchikey: JZXHUPALAOUFMA-GFCCVEGCSA-N
monoisotopicmass: 2.29204179E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_186982

2-amino-tridecanoic acid
type: Class
formula: C13H27NO2
inchi: InChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16)
inchikey: JZXHUPALAOUFMA-UHFFFAOYSA-N
monoisotopicmass: 2.29204179E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_187221

2S-amino-butanoic acid
type: Class
formula: C4H9NO2
inchi: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
inchikey: QWCKQJZIFLGMSD-VKHMYHEASA-N
monoisotopicmass: 1.03063329E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_35619

6-amino-hexanoic acid
type: Class
formula: C6H13NO2
inchi: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
inchikey: SLXKOJJOQWFEFD-UHFFFAOYSA-N
monoisotopicmass: 1.31094629E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_16586

2-amino-3-oxo-hexanedioic acid
type: Class
formula: C6H9NO5
inchi: InChI=1S/C6H9NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2,7H2,(H,9,10)(H,11,12)
inchikey: HXWZRYKURKEOSO-UHFFFAOYSA-N
monoisotopicmass: 1.75048074E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_28095

4-amino-4-cyano-butanoic acid
type: Class
formula: C5H8N2O2
inchi: InChI=1S/C5H8N2O2/c6-3-4(7)1-2-5(8)9/h4H,1-2,7H2,(H,8,9)
inchikey: DXWQLTOXWVWMOH-UHFFFAOYSA-N
monoisotopicmass: 1.28058578E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_28474

2-amino-4-cyano-butanoic acid
type: Class
formula: C5H8N2O2
inchi: InChI=1S/C5H8N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)
inchikey: VZSTVUJXUYNIOQ-UHFFFAOYSA-N
monoisotopicmass: 1.28058578E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_27578

4-amino-butanoic acid
type: Class
formula: C4H9NO2
inchi: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
inchikey: BTCSSZJGUNDROE-UHFFFAOYSA-N
monoisotopicmass: 1.03063329E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_59888

5-amino-pentanoic acid
type: Class
formula: C5H11NO2
inchi: InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
inchikey: JJMDCOVWQOJGCB-UHFFFAOYSA-N
monoisotopicmass: 1.17078979E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_356010

2S-amino-pentanoic acid
type: Class
formula: C5H11NO2
inchi: InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
inchikey: SNDPXSYFESPGGJ-BYPYZUCNSA-N
monoisotopicmass: 1.17078979E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_18314

2S-amino-hexanoic acid
type: Class
formula: C6H13NO2
inchi: InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
inchikey: LRQKBLKVPFOOQJ-YFKPBYRVSA-N
monoisotopicmass: 1.31094629E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_58455

2R-amino-butanoic acid
type: Class
formula: C4H9NO2
inchi: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
inchikey: QWCKQJZIFLGMSD-GSVOUGTGSA-N
monoisotopicmass: 1.03063329E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_28797

2-Amino-3-hydroxypropanoic acid
type: Class
formula: C3H7NO3
inchi: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
inchikey: MTCFGRXMJLQNBG-UHFFFAOYSA-N
monoisotopicmass: 1.05042594E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_17822

2-Amino-3-methylbutanoic acid
type: Class
formula: C5H11NO2
inchi: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
inchikey: KZSNJWFQEVHDMF-UHFFFAOYSA-N
monoisotopicmass: 1.17078979E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_27266

2S-Amino-3S-methylpentanoic acid
type: Class
formula: C6H13NO2
inchi: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
inchikey: AGPKZVBTJJNPAG-WHFBIAKZSA-N
monoisotopicmass: 1.31094629E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_17191

2-Amino-4-methylpentanoic acid
type: Class
formula: C6H13NO2
inchi: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
inchikey: ROHFNLRQFUQHCH-UHFFFAOYSA-N
monoisotopicmass: 1.31094629E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_25017

(R)-b-amino-isobutyric acid
type: Class
formula: C4H9NO2
inchi: InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
inchikey: QCHPKSFMDHPSNR-GSVOUGTGSA-N
monoisotopicmass: 1.03063329E2
label: 2R-methyl-3-amino-propanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_16320

(S)-b-amino-isobutyric acid
type: Class
formula: C4H9NO2
inchi: InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
inchikey: QCHPKSFMDHPSNR-VKHMYHEASA-N
monoisotopicmass: 1.03063329E2
label: 2S-methyl-3-amino-propanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_33094

2,3-diamino-propionic acid
type: Class
formula: C3H8N2O2
inchi: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1
inchikey: PECYZEOJVXMISF-REOHCLBHSA-N
monoisotopicmass: 1.04058578E2
label: 2S,3-diamino-propionic acid
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_57721

2,4-diamino-butanoic acid
type: Class
formula: C4H10N2O2
inchi: InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
inchikey: OGNSCSPNOLGXSM-UHFFFAOYSA-N
monoisotopicmass: 1.18074228E2
label: 2,4-diamino-butyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_64307

2-amino-2-methyl-propanoic acid
type: Class
formula: C4H9NO2
inchi: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
inchikey: FUOOLUPWFVMBKG-UHFFFAOYSA-N
monoisotopicmass: 1.03063329E2
label: 2-amino-isobutyric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_193090

3-amino-3-methyl-propionic acid
type: Class
formula: C4H9NO2
inchi: InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
inchikey: QCHPKSFMDHPSNR-UHFFFAOYSA-N
monoisotopicmass: 1.03063329E2
label: 3-amino-isobutanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_27389

4-oxo-5-amino-pentanoic acid
type: Class
formula: C5H9NO3
inchi: InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
inchikey: ZGXJTSGNIOSYLO-UHFFFAOYSA-N
monoisotopicmass: 1.31058244E2
label: 5-amino-levulinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_356416

2-amino-octanoic acid
type: Class
formula: C8H17NO2
inchi: InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
inchikey: AKVBCGQVQXPRLD-UHFFFAOYSA-N
monoisotopicmass: 1.59125929E2
label: DL-2-amino-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_75145

2,5-Diaminopentanoic acid
type: Class
formula: C5H12N2O2
inchi: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
inchikey: AHLPHDHHMVZTML-UHFFFAOYSA-N
monoisotopicmass: 1.32089878E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_18257

8-aminocaprylic acid
type: Class
formula: C8H17NO2
inchi: InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)
inchikey: UQXNEWQGGVUVQA-UHFFFAOYSA-N
monoisotopicmass: 1.59125929E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_143265

7,8-diaminononanoic acid
type: Class
formula: C9H20N2O2
inchi: InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)
inchikey: KCEGBPIYGIWCDH-UHFFFAOYSA-N
monoisotopicmass: 1.88152478E2
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI 2247

Myristamide
type: Class
formula: C14H29NO
inchi: InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)
inchikey: QEALYLRSRQDCRA-UHFFFAOYSA-N
monoisotopicmass: 2.27224914E2
label: tetradecamide
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_137125

7-Keto-8-aminopelargonic acid
type: Class
formula: C9H17NO3
inchi: InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1
inchikey: GUAHPAJOXVYFON-ZETCQYMHSA-N
monoisotopicmass: 1.87120844E2
label: 8S-amino-7-oxo-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10110
equivalent class: CHEBI_149468

(1-cyano-2-methylprop-2-en-1-yl) eicosanoate
type: Class
formula: C25H45NO2
inchikey: QRRHXDDYKWYHPW-UHFFFAOYSA-N
monoisotopicmass: 3.91345029E2
label: Type IV cyanolipid 20:0 ester
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10111

7-Cyano-2E-heptene-4,6-diynoic acid
type: Class
formula: C8H3NO2
inchi: InChI=1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+
inchikey: DMGKNZBGIHCAMP-GQCTYLIASA-N
monoisotopicmass: 1.45016379E2
label: Nudic Acid B
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10111
equivalent class: CHEBI_185077

10-Nitrolinoleic acid
type: Class
formula: C18H31NO4
inchi: InChI=1S/C18H31NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h8,11,15H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+
inchikey: LELVHAQTWXTCLY-XYWKCAQWSA-N
monoisotopicmass: 3.25225309E2
label: 10-nitro-9Z,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10112
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_34125

12-nitro-9Z,12Z-octadecadienoic acid
type: Class
formula: C18H31NO4
inchi: InChI=1S/C18H31NO4/c1-2-3-4-11-14-17(19(22)23)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,14H,2-8,10-11,13,15-16H2,1H3,(H,20,21)/b12-9-,17-14+
inchikey: ZYFTUIURWQWFKQ-QIAGQCQHSA-N
monoisotopicmass: 3.25225309E2
label: 12-nitro-linoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10112
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_34150

10-nitro-9E-octadecenoic acid
type: Class
formula: C18H33NO4
inchi: InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+
inchikey: WRADPCFZZWXOTI-BMRADRMJSA-N
monoisotopicmass: 3.27240959E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10112
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_86285

9-nitro-9E-octadecenoic acid
type: Class
formula: C18H33NO4
inchi: InChI=1S/C18H33NO4/c1-2-3-4-5-6-8-11-14-17(19(22)23)15-12-9-7-10-13-16-18(20)21/h14H,2-13,15-16H2,1H3,(H,20,21)/b17-14+
inchikey: CQOAKBVRRVHWKV-SAPNQHFASA-N
monoisotopicmass: 3.27240959E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10112
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_86329

9-NO2-CLA
type: Class
formula: C18H31NO4
inchi: InChI=1S/C18H31NO4/c1-2-3-4-5-6-8-11-14-17(19(22)23)15-12-9-7-10-13-16-18(20)21/h8,11,14H,2-7,9-10,12-13,15-16H2,1H3,(H,20,21)/b11-8+,17-14+
inchikey: URRNFVDDJZKQGD-LDRANXPESA-N
monoisotopicmass: 3.25225309E2
label: 9-nitro-9Z,11E-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10112
subclass of: https://www.lipidmaps.org/rdf/category/102

12-NO2-CLA
type: Class
formula: C18H31NO4
inchi: InChI=1S/C18H31NO4/c1-2-3-4-11-14-17(19(22)23)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,15H,2-8,10-11,13-14,16H2,1H3,(H,20,21)/b12-9+,17-15+
inchikey: ONJKKOVKZYVSIB-VAOWDNLSSA-N
monoisotopicmass: 3.25225309E2
label: 12-nitro-9E,11Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10112
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187237

7-nitro-7Z,9E-hexadecadienoic acid
type: Class
formula: C16H27NO4
inchi: InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-9-12-15(17(20)21)13-10-8-11-14-16(18)19/h7,9,12H,2-6,8,10-11,13-14H2,1H3,(H,18,19)/b9-7+,15-12+
inchikey: LQLPBMSWEIRISV-KDFHGORWSA-N
monoisotopicmass: 2.97194009E2
label: Dinor-7-NO2-CLA
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10112
equivalent class: CHEBI_187079

10-nitro-7E,9Z-hexadecadienoic acid
type: Class
formula: C16H27NO4
inchi: InChI=1S/C16H27NO4/c1-2-3-4-9-12-15(17(20)21)13-10-7-5-6-8-11-14-16(18)19/h7,10,13H,2-6,8-9,11-12,14H2,1H3,(H,18,19)/b10-7+,15-13+
inchikey: PXADSXFEFVVZKW-GRVINKSSSA-N
monoisotopicmass: 2.97194009E2
label: Dinor-10-NO2-CLA
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10112
equivalent class: CHEBI_186691

8-nitro-5E,7Z-tetradecadienoic acid
type: Class
formula: C14H23NO4
inchi: InChI=1S/C14H23NO4/c1-2-3-4-7-10-13(15(18)19)11-8-5-6-9-12-14(16)17/h5,8,11H,2-4,6-7,9-10,12H2,1H3,(H,16,17)/b8-5+,13-11+
inchikey: NEDSPIMVNZOJHB-PGMBSLALSA-N
monoisotopicmass: 2.69162709E2
label: Tetranor-8-NO2-CLA
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10112
equivalent class: CHEBI_187134

5-nitro-5Z,7E-tetradecadienoic acid
type: Class
formula: C14H23NO4
inchi: InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-10-13(15(18)19)11-9-12-14(16)17/h7-8,10H,2-6,9,11-12H2,1H3,(H,16,17)/b8-7+,13-10+
inchikey: WBHKJNXCKZWPFQ-AWGJLQHSSA-N
monoisotopicmass: 2.69162709E2
label: Tetranor-5-NO2-CLA
subclass of: https://www.lipidmaps.org/rdf/category/10112
equivalent class: CHEBI_186801

12-cys-9-nitro-octadecenoic acid
type: Class
formula: C21H38N2O6S
inchi: InChI=1S/C21H38N2O6S/c1-2-3-4-9-12-18(30-16-19(22)21(26)27)15-14-17(23(28)29)11-8-6-5-7-10-13-20(24)25/h14,18-19H,2-13,15-16,22H2,1H3,(H,24,25)(H,26,27)/b17-14+/t18?,19-/m1/s1
inchikey: ZLHMTQRLEBHTLQ-FXCXZOJLSA-N
monoisotopicmass: 4.46245059E2
label: 12-cysteinyl-9-nitro-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10112
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_184586

10-cys-9-nitro-octadecenoic acid
type: Class
formula: C21H38N2O6S
inchi: InChI=1S/C21H38N2O6S/c1-2-3-4-5-8-11-14-19(30-16-17(22)21(26)27)18(23(28)29)13-10-7-6-9-12-15-20(24)25/h11,14,17-19H,2-10,12-13,15-16,22H2,1H3,(H,24,25)(H,26,27)/b14-11+/t17-,18?,19?/m0/s1
inchikey: DYMGJCHVJRXQGM-OKCJRLRQSA-N
monoisotopicmass: 4.46245059E2
label: 10-cysteinyl-9-nitro-11E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10112
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_184534

9-Cys-12-nitro-octadecenoic acid
type: Class
formula: C21H38N2O6S
inchi: InChI=1S/C21H38N2O6S/c1-2-3-4-8-11-17(23(28)29)14-15-18(30-16-19(22)21(26)27)12-9-6-5-7-10-13-20(24)25/h14,18-19H,2-13,15-16,22H2,1H3,(H,24,25)(H,26,27)/b17-14+/t18?,19-/m0/s1
inchikey: YMJWRQDWULDWDN-OBYCOHDZSA-N
monoisotopicmass: 4.46245059E2
label: 9-cysteinyl-12-nitro-11E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10112
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_184798

11-cys-12-nitro-octadecenoic acid
type: Class
formula: C21H38N2O6S
inchi: InChI=1S/C21H38N2O6S/c1-2-3-4-10-13-18(23(28)29)19(30-16-17(22)21(26)27)14-11-8-6-5-7-9-12-15-20(24)25/h11,14,17-19H,2-10,12-13,15-16,22H2,1H3,(H,24,25)(H,26,27)/b14-11+/t17-,18?,19?/m0/s1
inchikey: DNZGGYIFHBHZNM-OKCJRLRQSA-N
monoisotopicmass: 4.46245059E2
label: 11-cysteinyl-12-nitro-9E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10112
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_185391

1,2-dithiolane-3R-pentanoic acid
type: Class
formula: C8H14O2S2
inchi: InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
inchikey: AGBQKNBQESQNJD-SSDOTTSWSA-N
monoisotopicmass: 2.06043522E2
label: Lipoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10113
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_30314

2-mercapto-octadecanoic acid
type: Class
formula: C18H36O2S
inchi: InChI=1S/C18H36O2S/c19-18(20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21/h21H,1-17H2,(H,19,20)
inchikey: FTGROEQKMLQQEP-UHFFFAOYSA-N
monoisotopicmass: 3.16243601E2
subclass of: https://www.lipidmaps.org/rdf/category/10113
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_169800

(S)-dihydrolipoic acid
type: Class
formula: C8H16O2S2
inchi: InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m0/s1
inchikey: IZFHEQBZOYJLPK-ZETCQYMHSA-N
monoisotopicmass: 2.08059172E2
label: 6S,8-dimercapto-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10113
equivalent class: CHEBI_30318

3-(methyl-sulfanyl)-propanoic acid
type: Class
formula: C4H8O2S
inchi: InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
inchikey: CAOMCZAIALVUPA-UHFFFAOYSA-N
monoisotopicmass: 1.20024501E2
label: 3-methyl-thiopropionic acid
subclass of: https://www.lipidmaps.org/rdf/category/10113
equivalent class: CHEBI 1438

11R,12S-methylene-octadecanoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/t17-,18+/m0/s1
inchikey: IJKRDVKGCQRKBI-ZWKOTPCHSA-N
monoisotopicmass: 2.96271531E2
label: Lactobacillic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_34811
abbrev: FA 19:1

8,9-methylene-8Z-heptadecenoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)
inchikey: HPSSZFFAYWBIPY-UHFFFAOYSA-N
monoisotopicmass: 2.80240231E2
label: Malvalic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI 6673
abbrev: FA 18:2

6-[5]-ladderane-hexanoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c19-13(20)5-3-1-2-4-9-8-12-14(9)18-16-11-7-6-10(11)15(16)17(12)18/h9-12,14-18H,1-8H2,(H,19,20)
inchikey: FWADMOZVPHIBNO-UHFFFAOYSA-N
monoisotopicmass: 2.7419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_188190
abbrev: FA 18:5

8-[5]-ladderane-octanoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c21-15(22)7-5-3-1-2-4-6-11-10-14-16(11)20-18-13-9-8-12(13)17(18)19(14)20/h11-14,16-20H,1-10H2,(H,21,22)
inchikey: ZKKJRZDMLYQUNK-UHFFFAOYSA-N
monoisotopicmass: 3.02224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 20:5

6-[3]-ladderane-hexanoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c19-16(20)5-3-1-2-4-11-6-7-14-15(10-11)18-13-9-8-12(13)17(14)18/h11-15,17-18H,1-10H2,(H,19,20)
inchikey: AYMKDPCMEDAVJJ-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 18:4

8-[3]-ladderane-octanoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c21-18(22)7-5-3-1-2-4-6-13-8-9-16-17(12-13)20-15-11-10-14(15)19(16)20/h13-17,19-20H,1-12H2,(H,21,22)
inchikey: RIAWBSMXETVQRQ-UHFFFAOYSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 20:4

11-Cyclohexylundecanoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)
inchikey: WFTPSUGFEZHCGU-UHFFFAOYSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_29736
abbrev: FA 17:1

11-Cycloheptylundecanoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c19-18(20)16-12-6-4-2-1-3-5-9-13-17-14-10-7-8-11-15-17/h17H,1-16H2,(H,19,20)
inchikey: OMZUUGOYASJZKP-UHFFFAOYSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_29735
abbrev: FA 18:1

13-Cyclohexyltridecanoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h18H,1-17H2,(H,20,21)
inchikey: JBTBXKNLITZKLW-UHFFFAOYSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_187707
abbrev: FA 19:1

4-[3]-ladderane-butanoic acid
type: Class
formula: C16H24O2
inchi: InChI=1S/C16H24O2/c17-14(18)3-1-2-9-4-5-12-13(8-9)16-11-7-6-10(11)15(12)16/h9-13,15-16H,1-8H2,(H,17,18)
inchikey: WWHSTYPFQBWANZ-UHFFFAOYSA-N
monoisotopicmass: 2.4817763E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_196492
abbrev: FA 16:4

4-[5]-ladderane-butanoic acid
type: Class
formula: C16H22O2
inchi: InChI=1S/C16H22O2/c17-11(18)3-1-2-7-6-10-12(7)16-14-9-5-4-8(9)13(14)15(10)16/h7-10,12-16H,1-6H2,(H,17,18)
inchikey: ZDWWCRQXNJGGFF-UHFFFAOYSA-N
monoisotopicmass: 2.4616198E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_187402
abbrev: FA 16:5

10-[3]-ladderane-decanoic acid
type: Class
formula: C22H36O2
inchi: InChI=1S/C22H36O2/c23-20(24)9-7-5-3-1-2-4-6-8-15-10-11-18-19(14-15)22-17-13-12-16(17)21(18)22/h15-19,21-22H,1-14H2,(H,23,24)
inchikey: LNZVFVDXQMOFRR-UHFFFAOYSA-N
monoisotopicmass: 3.32271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_187931
abbrev: FA 22:4

10-[5]-ladderane-decanoic acid
type: Class
formula: C22H34O2
inchi: InChI=1S/C22H34O2/c23-17(24)9-7-5-3-1-2-4-6-8-13-12-16-18(13)22-20-15-11-10-14(15)19(20)21(16)22/h13-16,18-22H,1-12H2,(H,23,24)
inchikey: LXZYGXNGSMYQAG-UHFFFAOYSA-N
monoisotopicmass: 3.30255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_188223
abbrev: FA 22:5

12-[3]-ladderane-dodecanoic acid
type: Class
formula: C24H40O2
inchi: InChI=1S/C24H40O2/c25-22(26)11-9-7-5-3-1-2-4-6-8-10-17-12-13-20-21(16-17)24-19-15-14-18(19)23(20)24/h17-21,23-24H,1-16H2,(H,25,26)
inchikey: CKZGRGZXFFNECL-UHFFFAOYSA-N
monoisotopicmass: 3.60302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_187927
abbrev: FA 24:4

12-[5]-ladderane-dodecanoic acid
type: Class
formula: C24H38O2
inchi: InChI=1S/C24H38O2/c25-19(26)11-9-7-5-3-1-2-4-6-8-10-15-14-18-20(15)24-22-17-13-12-16(17)21(22)23(18)24/h15-18,20-24H,1-14H2,(H,25,26)
inchikey: ZPDCFDULRXOVLT-UHFFFAOYSA-N
monoisotopicmass: 3.58287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_187364
abbrev: FA 24:5

7-(2-non-8-yn-1-ylcycloprop-1-en-1-yl)heptanoic acid
type: Class
formula: C19H30O2
inchi: InChI=1S/C19H30O2/c1-2-3-4-5-6-7-10-13-17-16-18(17)14-11-8-9-12-15-19(20)21/h1H,3-16H2,(H,20,21)
inchikey: CUWBJXSLCSBCIA-UHFFFAOYSA-N
monoisotopicmass: 2.90224581E2
label: Sterculynic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_26757
abbrev: FA 19:4

13R-(2-cyclopentenyl)-tridecanoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)/t17-/m0/s1
inchikey: XMVQWNRDPAAMJB-KRWDZBQOSA-N
monoisotopicmass: 2.80240231E2
label: Chaulmoogric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_61389
abbrev: FA 18:2

9,10-methylene-9-octadecenoic acid
type: Class
formula: C19H34O2
inchi: InChI=1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,21)
inchikey: PQRKPYLNZGDCFH-UHFFFAOYSA-N
monoisotopicmass: 2.94255881E2
label: Sterculic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI 9261
abbrev: FA 19:2

9S,10R-methylene-octadecanoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/t17-,18+/m1/s1
inchikey: PDXZQLDUVAKMBQ-MSOLQXFVSA-N
monoisotopicmass: 2.96271531E2
label: Dihydrosterculic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_165374
abbrev: FA 19:1

13R-(2-cyclopenten-1-yl)-6Z-tridecenoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h2,4,11,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20)/b4-2-/t17-/m0/s1
inchikey: XADKGDBMULSEAC-MMTGSJLXSA-N
monoisotopicmass: 2.78224581E2
label: Gorlic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_61676
abbrev: FA 18:3

(2-cyclopenten-1-yl)-carboxylic acid
type: Class
formula: C6H8O2
inchi: InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,7,8)
inchikey: MOMBAXHNIPLMSI-UHFFFAOYSA-N
monoisotopicmass: 1.1205243E2
label: Aleprolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_165373
abbrev: FA 6:2

11-(2-cyclopentenyl)-undecanoic acid
type: Class
formula: C16H28O2
inchi: InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)
inchikey: SRELFLQJDOTNLJ-UHFFFAOYSA-N
monoisotopicmass: 2.5220893E2
label: Hydnocarpic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_61671
abbrev: FA 16:2

4S,5S-methylene-11-bromo-8E,10Z-tetradecadienoic acid
type: Class
formula: C15H23O2Br
inchi: InChI=1S/C15H23BrO2/c1-2-6-14(16)8-5-3-4-7-12-11-13(12)9-10-15(17)18/h3,5,8,12-13H,2,4,6-7,9-11H2,1H3,(H,17,18)/b5-3+,14-8-/t12-,13-/m0/s1
inchikey: XSRLEFWNCQOETJ-SULJWLEGSA-N
monoisotopicmass: 3.1408814E2
label: Majusculoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_165375

13-Phenyltridecanoic acid
type: Class
formula: C19H30O2
inchi: InChI=1S/C19H30O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,1-8,10,13-14,17H2,(H,20,21)
inchikey: JVPLVXRNWLOHML-UHFFFAOYSA-N
monoisotopicmass: 2.90224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 19:4

9R,10S-methylene-hexadecanoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/t15-,16+/m0/s1
inchikey: MUZYOAHCGSIXJH-JKSUJKDBSA-N
monoisotopicmass: 2.68240231E2
label: cis-9,10-methylene-hexadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_140685
abbrev: FA 17:1

19-cyclopropyl-hexacosanoic acid
type: Class
formula: C27H52O2
inchi: InChI=1S/C27H52O2/c1-2-3-4-18-21-25-24-26(25)22-19-16-14-12-10-8-6-5-7-9-11-13-15-17-20-23-27(28)29/h25-26H,2-24H2,1H3,(H,28,29)
inchikey: STWTWRGWTAJRQS-UHFFFAOYSA-N
monoisotopicmass: 4.08396731E2
label: 26:0(19Cp)
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 27:1

11-Phenylundecanoic acid
type: Class
formula: C17H26O2
inchi: InChI=1S/C17H26O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,1-6,8,11-12,15H2,(H,18,19)
inchikey: AUQIXRHHSITZFM-UHFFFAOYSA-N
monoisotopicmass: 2.6219328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 17:4

Dihydroxy-2-cyclopentene-1-tridecanoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c19-16-14-13-15(18(16)22)11-9-7-5-3-1-2-4-6-8-10-12-17(20)21/h15,19,22H,1-14H2,(H,20,21)
inchikey: AVUCHZPQKYTWLG-UHFFFAOYSA-N
monoisotopicmass: 3.12230061E2
label: Dihydroxychaulmoogric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_186972
abbrev: FA 18:2;O2

15-Phenylpentadecanoic acid
type: Class
formula: C21H34O2
inchi: InChI=1S/C21H34O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23)
inchikey: BKXIGVQZLPZYLM-UHFFFAOYSA-N
monoisotopicmass: 3.18255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_186236
abbrev: FA 21:4

3-(2-cyclopenten-1-yl)-propanoic acid
type: Class
formula: C8H12O2
inchi: InChI=1S/C8H12O2/c9-8(10)6-5-7-3-1-2-4-7/h1,3,7H,2,4-6H2,(H,9,10)
inchikey: ZKEQEKIUJNGBRM-UHFFFAOYSA-N
monoisotopicmass: 1.4008373E2
label: Alepramic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_186897
abbrev: FA 8:2

((1S,2R)-2-Hexylcycloprop-1-yl)acetic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10+/m1/s1
inchikey: DSMAUFFXECFFMC-ZJUUUORDSA-N
monoisotopicmass: 1.8414633E2
label: Cascarillic acid
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 11:1

7-(2-octylcyclopropyl)heptanoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
inchikey: FSTZKYGQVCLPSX-UHFFFAOYSA-N
monoisotopicmass: 2.82255881E2
label: Dihydromalvalic acid
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 18:1

15-(cyclopent-2-en-1-yl)pentadecanoic acid
type: Class
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h13,16,19H,1-12,14-15,17-18H2,(H,21,22)
inchikey: LKHZDPAUGRFBHR-UHFFFAOYSA-N
monoisotopicmass: 3.08271531E2
label: Hormelic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 20:2

13-(2-cyclopenten-1-yl)-4Z-tridecenoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h6,8,11,14,17H,1-5,7,9-10,12-13,15-16H2,(H,19,20)/b8-6-
inchikey: LZZANLYIVGPJEZ-VURMDHGXSA-N
monoisotopicmass: 2.78224581E2
label: Isogorlic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 18:3

11-(cyclo-pent-2-en-1-yl)-6Z-un-decenoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h1-2,9,12,15H,3-8,10-11,13-14H2,(H,17,18)/b2-1-
inchikey: NUYKZLPZCISBEW-UPHRSURJSA-N
monoisotopicmass: 2.5019328E2
label: Manaoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 16:3

7R,8S-methylenehexanoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-8-11-15-14-16(15)12-9-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/t15-,16+/m0/s1
inchikey: FMVHABNRCKPNEA-JKSUJKDBSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 17:1

7,8-methylenehexanoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-5-6-8-11-15-14-16(15)12-9-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)
inchikey: FMVHABNRCKPNEA-UHFFFAOYSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 17:1

15-(2-cyclopenten-1-yl)-9Z-Pentadecenoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h1,3,13,16,19H,2,4-12,14-15,17-18H2,(H,21,22)/b3-1-
inchikey: GFPRKNCSMMGSNS-IWQZZHSRSA-N
monoisotopicmass: 3.06255881E2
label: 2-Cyclopentene-1-pentadec-9c-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_190356
abbrev: FA 20:3

15-(2-cyclopenten-1-yl)-9-Pentadecenoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h1,3,13,16,19H,2,4-12,14-15,17-18H2,(H,21,22)
inchikey: GFPRKNCSMMGSNS-UHFFFAOYSA-N
monoisotopicmass: 3.06255881E2
label: 2-Cyclopentene-1-pentadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 20:3

13-Cyclopentyltridecanoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h17H,1-16H2,(H,19,20)
inchikey: GPWJVXHWELIFNF-UHFFFAOYSA-N
monoisotopicmass: 2.82255881E2
label: Cyclopentanetridecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_173132
abbrev: FA 18:1

13-(2-Cyclopentenyl)-9Z-tridecenoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h3,5,11,14,17H,1-2,4,6-10,12-13,15-16H2,(H,19,20)/b5-3-
inchikey: GVHVFTUIDJXBIS-HYXAFXHYSA-N
monoisotopicmass: 2.78224581E2
label: 13-(2-cyclopenten-1-yl)-9Z-Tridecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 18:3

5,6-methylenetetradecanoic acid
type: Class
formula: C15H28O2
inchi: InChI=1S/C15H28O2/c1-2-3-4-5-6-7-9-13-12-14(13)10-8-11-15(16)17/h13-14H,2-12H2,1H3,(H,16,17)
inchikey: HGTLIMXCUHOIQJ-UHFFFAOYSA-N
monoisotopicmass: 2.4020893E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 15:1

6,7-methylene-pentadecanoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-10-14-13-15(14)11-8-9-12-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)
inchikey: YPMKDOYCNARBES-UHFFFAOYSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 16:1

15-(2-cyclopenten-1-yl)-8Z-pentadecenoic acid
type: Class
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h1-2,13,16,19H,3-12,14-15,17-18H2,(H,21,22)/b2-1-
inchikey: KAKYPXHOBZXCNY-UPHRSURJSA-N
monoisotopicmass: 3.06255881E2
label: Oncobic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 20:3

13,14-methylene-docosanoic acid
type: Class
formula: C23H44O2
inchi: InChI=1S/C23H44O2/c1-2-3-4-5-11-14-17-21-20-22(21)18-15-12-9-7-6-8-10-13-16-19-23(24)25/h21-22H,2-20H2,1H3,(H,24,25)
inchikey: KTAYKDBBVGXYBG-UHFFFAOYSA-N
monoisotopicmass: 3.52334131E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 23:1

5,6-methylene-tridecanoic acid
type: Class
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-8-12-11-13(12)9-7-10-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)
inchikey: KWRQIHPPLYNYJK-UHFFFAOYSA-N
monoisotopicmass: 2.2619328E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 14:1

13-(1-Cyclopentenyl)-3-oxo-tridecanoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c19-17(15-18(20)21)14-8-6-4-2-1-3-5-7-11-16-12-9-10-13-16/h12H,1-11,13-15H2,(H,20,21)
inchikey: KZARRJOZVBLBIG-UHFFFAOYSA-N
monoisotopicmass: 2.94219496E2
label: Ketochaulmoogric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_185293
abbrev: FA 18:3;O

8,9-Methylene-octadecanoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-10-13-17-16-18(17)14-11-8-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)
inchikey: MGPDYNWGYUWLEE-UHFFFAOYSA-N
monoisotopicmass: 2.96271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 19:1

9,10-Methylenehexadecanoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)
inchikey: MUZYOAHCGSIXJH-UHFFFAOYSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 17:1

2-hydroxy-8-(2-octylcycloprop-1-en-1-yl)octanoic acid;
type: Class
formula: C19H34O3
inchi: InChI=1S/C19H34O3/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(20)19(21)22/h18,20H,2-15H2,1H3,(H,21,22)
inchikey: NIMPMJIXSJYVEO-UHFFFAOYSA-N
monoisotopicmass: 3.10250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_172541
abbrev: FA 19:2;O

3,4-methylenedodecanoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-11-9-12(11)10-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)
inchikey: NZJKQTZCWFZUOY-UHFFFAOYSA-N
monoisotopicmass: 2.1217763E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 13:1

11-(2-cyclopenten-1-yl)-4Z-Undecenoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h4,6,9,12,15H,1-3,5,7-8,10-11,13-14H2,(H,17,18)/b6-4-
inchikey: WQSQIHQYYSDWOF-XQRVVYSFSA-N
monoisotopicmass: 2.5019328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 16:3

11-(2-cyclopenten-1-yl)-9Z-undecenoic acid
type: Class
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h5,7,9,12,15H,1-4,6,8,10-11,13-14H2,(H,17,18)/b7-5-
inchikey: XHKGOBDLIAAXGV-ALCCZGGFSA-N
monoisotopicmass: 2.5019328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 16:3

2-Cyclopentene-1S-tridecanoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)/t17-/m1/s1
inchikey: XMVQWNRDPAAMJB-QGZVFWFLSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_61391
abbrev: FA 18:2

9-cyclopropylnonanoic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c13-12(14)8-6-4-2-1-3-5-7-11-9-10-11/h11H,1-10H2,(H,13,14)
inchikey: YVSYMQVXJYGAJL-UHFFFAOYSA-N
monoisotopicmass: 1.9816198E2
label: Cyclopropanenonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 12:1

2-octyl-cyclopropaneoctanoic acid
type: Class
formula: C19H36O2
inchi: InChI=1S/C19H36O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)
inchikey: PDXZQLDUVAKMBQ-UHFFFAOYSA-N
monoisotopicmass: 2.96271531E2
label: 8-(2-octylcyclopropyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 19:1

8-(2-((2-((2-ethylcyclopropyl)methyl)cyclopropyl)methyl)cyclopropyl)octanoic acid
type: Class
formula: C21H36O2
inchi: InChI=1S/C21H36O2/c1-2-15-10-17(15)12-19-14-20(19)13-18-11-16(18)8-6-4-3-5-7-9-21(22)23/h15-20H,2-14H2,1H3,(H,22,23)
inchikey: XDQCGOJIYWNLMQ-UHFFFAOYSA-N
monoisotopicmass: 3.20271531E2
label: 9(10),12(13),15(16)-trimethylene-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 21:3

(11S)-10,11-methylene-5Z,9E-heptacosadienoic acid
type: Class
formula: C28H50O2
inchi: InChI=1S/C28H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-26-25-27(26)23-20-17-14-15-18-21-24-28(29)30/h14-15,23,26H,2-13,16-22,24-25H2,1H3,(H,29,30)/b15-14-,27-23+/t26-/m0/s1
inchikey: GNTJEDVVFIJAMK-TXVUYSAVSA-N
monoisotopicmass: 4.18381081E2
label: Amphimic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 28:3

(11S)-10,11-methylene-5Z,9E-hexacosadienoic acid
type: Class
formula: C27H48O2
inchi: InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-25-24-26(25)22-19-16-13-14-17-20-23-27(28)29/h13-14,22,25H,2-12,15-21,23-24H2,1H3,(H,28,29)/b14-13-,26-22+/t25-/m0/s1
inchikey: PLUYRZCFIFXPDL-SHUBPKEUSA-N
monoisotopicmass: 4.04365431E2
label: Amphimic acid C
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 27:3

(11S)-10,11-methylene-5Z,9E,20Z-heptacosatrienoic acid
type: Class
formula: C28H48O2
inchi: InChI=1S/C28H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-26-25-27(26)23-20-17-14-15-18-21-24-28(29)30/h7-8,14-15,23,26H,2-6,9-13,16-22,24-25H2,1H3,(H,29,30)/b8-7-,15-14-,27-23+/t26-/m0/s1
inchikey: PPYYHEIKKRPVLF-DJRYAZFMSA-N
monoisotopicmass: 4.16365431E2
label: Amphimic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 28:4

2-(1,2-tetra-decadienyl)-cyclopropanecarboxylic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(16)18(19)20/h12,14,16-17H,2-11,15H2,1H3,(H,19,20)
inchikey: UJLCTWQAXHCCFC-UHFFFAOYSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 18:3

7-phenyl heptanoic acid
type: Class
formula: C13H18O2
inchi: InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)
inchikey: ZVSXKFNTWOIGJI-UHFFFAOYSA-N
monoisotopicmass: 2.0613068E2
label: 7-phenyl-heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_193307
abbrev: FA 13:4

9-phenyl nonanoic acid
type: Class
formula: C15H22O2
inchi: InChI=1S/C15H22O2/c16-15(17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2,(H,16,17)
inchikey: URWLWLXGACJYCO-UHFFFAOYSA-N
monoisotopicmass: 2.3416198E2
label: 9-phenyl-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 15:4

12-phenyl dodecanoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20)
inchikey: IXEHFJJSVBVZHI-UHFFFAOYSA-N
monoisotopicmass: 2.7620893E2
label: 12-phenyl-dodecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 18:4

17-phenyl heptadecanoic acid
type: Class
formula: C23H38O2
inchi: InChI=1S/C23H38O2/c24-23(25)21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-22-19-15-13-16-20-22/h13,15-16,19-20H,1-12,14,17-18,21H2,(H,24,25)
inchikey: KKRGPZLKDVBSJA-UHFFFAOYSA-N
monoisotopicmass: 3.46287181E2
label: 17-phenyl-heptadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 23:4

19-phenyl nonadecanoic acid
type: Class
formula: C25H42O2
inchi: InChI=1S/C25H42O2/c26-25(27)23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24/h15,17-18,21-22H,1-14,16,19-20,23H2,(H,26,27)
inchikey: CZXWTZXPCXQSPH-UHFFFAOYSA-N
monoisotopicmass: 3.74318481E2
label: 19-phenyl-nonadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_187010
abbrev: FA 25:4

21-phenyl heneicosanoic acid
type: Class
formula: C27H46O2
inchi: InChI=1S/C27H46O2/c28-27(29)25-21-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-22-26-23-19-17-20-24-26/h17,19-20,23-24H,1-16,18,21-22,25H2,(H,28,29)
inchikey: NTNZDKQMAVVRKI-UHFFFAOYSA-N
monoisotopicmass: 4.02349781E2
label: 21-phenyl-heneicosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_186930
abbrev: FA 27:4

23-phenyl tricosanoic acid
type: Class
formula: C29H50O2
inchi: InChI=1S/C29H50O2/c30-29(31)27-23-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-24-28-25-21-19-22-26-28/h19,21-22,25-26H,1-18,20,23-24,27H2,(H,30,31)
inchikey: ODISDFBIRZIIOH-UHFFFAOYSA-N
monoisotopicmass: 4.30381081E2
label: 23-phenyl-tricosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 29:4

11-phenyl-7E-undecenoic acid
type: Class
formula: C17H24O2
inchi: InChI=1S/C17H24O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h1,3,7,9-10,13-14H,2,4-6,8,11-12,15H2,(H,18,19)/b3-1+
inchikey: LLUBVBHPXYZHLV-HNQUOIGGSA-N
monoisotopicmass: 2.6017763E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_186607
abbrev: FA 17:5

13-phenyl-9E-tridecenoic acid
type: Class
formula: C19H28O2
inchi: InChI=1S/C19H28O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h3,5,9,11-12,15-16H,1-2,4,6-8,10,13-14,17H2,(H,20,21)/b5-3+
inchikey: PTHXJDIHJNGHDK-HWKANZROSA-N
monoisotopicmass: 2.8820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_186915
abbrev: FA 19:5

15-phenyl-11E-pentadecenoic acid
type: Class
formula: C21H32O2
inchi: InChI=1S/C21H32O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h5,7,11,13-14,17-18H,1-4,6,8-10,12,15-16,19H2,(H,22,23)/b7-5+
inchikey: NQHKINYMCHKEHW-FNORWQNLSA-N
monoisotopicmass: 3.16240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 21:5

17-phenyl-13E-heptadecenoic acid
type: Class
formula: C23H36O2
inchi: InChI=1S/C23H36O2/c24-23(25)21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-22-19-15-13-16-20-22/h7,9,13,15-16,19-20H,1-6,8,10-12,14,17-18,21H2,(H,24,25)/b9-7+
inchikey: JHYURXORMRRZBX-VQHVLOKHSA-N
monoisotopicmass: 3.44271531E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_193276
abbrev: FA 23:5

19-phenyl-15E-nonadecenoic acid
type: Class
formula: C25H40O2
inchi: InChI=1S/C25H40O2/c26-25(27)23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24/h9,11,15,17-18,21-22H,1-8,10,12-14,16,19-20,23H2,(H,26,27)/b11-9+
inchikey: FFXFMWOKFMTJFQ-PKNBQFBNSA-N
monoisotopicmass: 3.72302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_187025
abbrev: FA 25:5

15-phenyl-9E-pentadecenoic acid
type: Class
formula: C21H32O2
inchi: InChI=1S/C21H32O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h1,3,11,13-14,17-18H,2,4-10,12,15-16,19H2,(H,22,23)/b3-1+
inchikey: MAPMHNVZASSSQK-HNQUOIGGSA-N
monoisotopicmass: 3.16240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 21:5

13-phenyl-7E-tridecenoic acid
type: Class
formula: C19H28O2
inchi: InChI=1S/C19H28O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h1-2,9,11-12,15-16H,3-8,10,13-14,17H2,(H,20,21)/b2-1+
inchikey: KBNIXBSMLHDPTH-OWOJBTEDSA-N
monoisotopicmass: 2.8820893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 19:5

2-[5]-ladderane ethanoic acid
type: Class
formula: C14H18O2
inchi: InChI=1S/C14H18O2/c15-9(16)4-5-3-8-10(5)14-12-7-2-1-6(7)11(12)13(8)14/h5-8,10-14H,1-4H2,(H,15,16)
inchikey: DZIBLSUVSGTNGQ-UHFFFAOYSA-N
monoisotopicmass: 2.1813068E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 14:5

2-[3]-ladderane ethanoic acid
type: Class
formula: C14H20O2
inchi: InChI=1S/C14H20O2/c15-12(16)6-7-1-2-10-11(5-7)14-9-4-3-8(9)13(10)14/h7-11,13-14H,1-6H2,(H,15,16)
inchikey: MZLSFWGEQLSKRL-UHFFFAOYSA-N
monoisotopicmass: 2.2014633E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_187485
abbrev: FA 14:4

8-[1]-ladderane octanoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c21-20(22)11-5-3-1-2-4-8-15-12-13-18-16-9-6-7-10-17(16)19(18)14-15/h7,10,12-13,15-19H,1-6,8-9,11,14H2,(H,21,22)
inchikey: YXIWYGQKTGFZLE-UHFFFAOYSA-N
monoisotopicmass: 3.02224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 20:5

8-[1]-ladderane octanoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c21-20(22)11-5-3-1-2-4-8-15-12-13-18-16-9-6-7-10-17(16)19(18)14-15/h7,10,15-19H,1-6,8-9,11-14H2,(H,21,22)
inchikey: ZKRGEQPJMSDUDI-UHFFFAOYSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 20:4

6-[1]-ladderane hexanoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c19-18(20)9-3-1-2-6-13-10-11-16-14-7-4-5-8-15(14)17(16)12-13/h5,8,10-11,13-17H,1-4,6-7,9,12H2,(H,19,20)
inchikey: ATCCBQYAUWNJQL-UHFFFAOYSA-N
monoisotopicmass: 2.7419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 18:5

8-[1]-ladderane octanol
type: Class
formula: C20H32O
inchi: InChI=1S/C20H32O/c21-14-8-4-2-1-3-5-9-16-12-13-19-17-10-6-7-11-18(17)20(19)15-16/h7,11-13,16-21H,1-6,8-10,14-15H2
inchikey: FRIKWUMANILBMM-UHFFFAOYSA-N
monoisotopicmass: 2.88245316E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_192904

8-[1]-ladderane octanol
type: Class
formula: C20H34O
inchi: InChI=1S/C20H34O/c21-14-8-4-2-1-3-5-9-16-12-13-19-17-10-6-7-11-18(17)20(19)15-16/h7,11,16-21H,1-6,8-10,12-15H2
inchikey: AXFRZHZLFVMPSU-UHFFFAOYSA-N
monoisotopicmass: 2.90260966E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114

6-[1]-ladderane hexanol
type: Class
formula: C18H28O
inchi: InChI=1S/C18H28O/c19-12-6-2-1-3-7-14-10-11-17-15-8-4-5-9-16(15)18(17)13-14/h5,9-11,14-19H,1-4,6-8,12-13H2
inchikey: WNGSQFREFUKQMP-UHFFFAOYSA-N
monoisotopicmass: 2.60214015E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_184243

4-((1R,2S)-2-hexylcyclopropyl)butanoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-2-3-4-5-7-11-10-12(11)8-6-9-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12+/m0/s1
inchikey: MQWFOICQHNOBOJ-NWDGAFQWSA-N
monoisotopicmass: 2.1217763E2
label: cis-4-(2-hexylcyclopropyl)-butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 13:1

2-((1S,2S)-2-hexylcyclopropyl)acetic acid
type: Class
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-/m0/s1
inchikey: DSMAUFFXECFFMC-UWVGGRQHSA-N
monoisotopicmass: 1.8414633E2
label: cis-2-(2-hexylcyclopropyl)-acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 11:1

3-((1R,2R)-2-heptylcyclopropyl)propanoic acid
type: Class
formula: C13H24O2
inchi: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-11-10-12(11)8-9-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12-/m1/s1
inchikey: RLZULRFRISISCU-VXGBXAGGSA-N
monoisotopicmass: 2.1217763E2
label: Lyngbyoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 13:1

13-Cycloheptyltridecanoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c21-20(22)18-14-8-6-4-2-1-3-5-7-11-15-19-16-12-9-10-13-17-19/h19H,1-18H2,(H,21,22)
inchikey: AROTXGMGHUCMKW-UHFFFAOYSA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 20:1

11-Cycloheptyl,2-hydroxytridecanoic acid
type: Class
formula: C20H38O3
inchi: InChI=1S/C20H38O3/c21-19(20(22)23)17-13-7-5-3-1-2-4-6-10-14-18-15-11-8-9-12-16-18/h18-19,21H,1-17H2,(H,22,23)
inchikey: QMSDXTYLUVLIRZ-UHFFFAOYSA-N
monoisotopicmass: 3.26282096E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 20:1;O

11-Cycloheptyldecanoic acid
type: Class
formula: C17H32O2
inchi: InChI=1S/C17H32O2/c18-17(19)15-11-5-3-1-2-4-8-12-16-13-9-6-7-10-14-16/h16H,1-15H2,(H,18,19)
inchikey: OXWPLBIDMFXUJL-UHFFFAOYSA-N
monoisotopicmass: 2.68240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 17:1

11-Cycloheptylnonanoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c17-16(18)14-10-4-2-1-3-7-11-15-12-8-5-6-9-13-15/h15H,1-14H2,(H,17,18)
inchikey: UQBKDOGXRBMFLK-UHFFFAOYSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 16:1

11-cycloheptyl,2R-hydroxyundecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c19-17(18(20)21)15-11-5-3-1-2-4-8-12-16-13-9-6-7-10-14-16/h16-17,19H,1-15H2,(H,20,21)/t17-/m1/s1
inchikey: IMEZCTSDSJOJAC-QGZVFWFLSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 18:1;O

7E-(2S-octylcyclopropylidene)heptanoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h13,16H,2-12,14-15H2,1H3,(H,19,20)/b17-13+/t16-/m0/s1
inchikey: YFYDVMOBIGLYSP-YKBBIGDRSA-N
monoisotopicmass: 2.80240231E2
label: Adiantic acid
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 18:2

17-methyl-trans-4,5-methyleneoctadecanoic acid
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-17(2)12-10-8-6-4-3-5-7-9-11-13-18-16-19(18)14-15-20(21)22/h17-19H,3-16H2,1-2H3,(H,21,22)/t18-,19-/m0/s1
inchikey: MLUVGOHIKYMWQZ-OALUTQOASA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 20:1

18-methyl-trans-4,5-methylenenonadecanoic acid
type: Class
formula: C21H40O2
inchi: InChI=1S/C21H40O2/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-19-17-20(19)15-16-21(22)23/h18-20H,3-17H2,1-2H3,(H,22,23)/t19-,20-/m0/s1
inchikey: GKMXVYVRGTXGGN-PMACEKPBSA-N
monoisotopicmass: 3.24302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 21:1

17-methyl-trans-4,5-methylenenonadecanoic acid
type: Class
formula: C21H40O2
inchi: InChI=1S/C21H40O2/c1-3-18(2)13-11-9-7-5-4-6-8-10-12-14-19-17-20(19)15-16-21(22)23/h18-20H,3-17H2,1-2H3,(H,22,23)/t18?,19-,20-/m0/s1
inchikey: DVNFQBGYPQYEEC-YPJRHXLCSA-N
monoisotopicmass: 3.24302831E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 21:1

11-(3-oxo-1-cyclopentenyl)-undecanoic acid
type: Class
formula: C16H26O3
inchi: InChI=1S/C16H26O3/c17-15-12-11-14(13-15)9-7-5-3-1-2-4-6-8-10-16(18)19/h13H,1-12H2,(H,18,19)
inchikey: RBOLVCWMVYGKDY-UHFFFAOYSA-N
monoisotopicmass: 2.66188195E2
label: Cyclopentenone acid A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 16:3;O

14-(3-oxo-1-cyclopentenyl)-tetradecanoic acid
type: Class
formula: C19H32O3
inchi: InChI=1S/C19H32O3/c20-18-15-14-17(16-18)12-10-8-6-4-2-1-3-5-7-9-11-13-19(21)22/h16H,1-15H2,(H,21,22)
inchikey: ZHUVNXQAENOFTH-UHFFFAOYSA-N
monoisotopicmass: 3.08235146E2
label: Cyclopentenone acid C
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 19:3;O

13-(3-oxo-1-cyclopentenyl)-4E-tridecenoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c19-17-14-13-16(15-17)11-9-7-5-3-1-2-4-6-8-10-12-18(20)21/h6,8,15H,1-5,7,9-14H2,(H,20,21)/b8-6+
inchikey: NLABPELXBSHGRI-SOFGYWHQSA-N
monoisotopicmass: 2.92203846E2
label: Cyclopentenone acid B
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 18:4;O

(+)-cis-olibanic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-10-9-11(10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11+/m1/s1
inchikey: FLZRNGWKTVAXBN-MNOVXSKESA-N
monoisotopicmass: 1.9816198E2
label: 2S,3R-methylene-undecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 12:1

(+)-trans-olibanic acid
type: Class
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-10-9-11(10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11-/m0/s1
inchikey: FLZRNGWKTVAXBN-QWRGUYRKSA-N
monoisotopicmass: 1.9816198E2
label: 2S,3S-methylene-undecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 12:1

6-(3-oxocyclopropen-1-yl)hexanoic acid
type: Class
formula: C9H12O3
inchi: InChI=1S/C9H12O3/c10-8-6-7(8)4-2-1-3-5-9(11)12/h6H,1-5H2,(H,11,12)
inchikey: PILZQFAVBOKECT-UHFFFAOYSA-N
monoisotopicmass: 1.68078645E2
label: Alutacenoic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 9:3;O

8-(3-oxocyclopropen-1-yl)octanoic acid
type: Class
formula: C11H16O3
inchi: InChI=1S/C11H16O3/c12-10-8-9(10)6-4-2-1-3-5-7-11(13)14/h8H,1-7H2,(H,13,14)
inchikey: GZQURNFPUYOHDR-UHFFFAOYSA-N
monoisotopicmass: 1.96109945E2
label: Alutacenoic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 11:3;O

13-(2-methylphenyl)-12E-tridecenoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-18-14-12-13-16-19(18)15-10-8-6-4-2-3-5-7-9-11-17-20(21)22/h10,12-16H,2-9,11,17H2,1H3,(H,21,22)/b15-10+
inchikey: LRVODNVNRNARGX-XNTDXEJSSA-N
monoisotopicmass: 3.02224581E2
label: Tripmycin A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_196950
abbrev: FA 20:5

5-(2-Methylphenyl)-4-pentenoic acid
type: Class
formula: C12H14O2
inchi: InChI=1S/C12H14O2/c1-10-6-2-3-7-11(10)8-4-5-9-12(13)14/h2-4,6-8H,5,9H2,1H3,(H,13,14)/b8-4+
inchikey: DRZNYKPVRLVHJG-XBXARRHUSA-N
monoisotopicmass: 1.9009938E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
equivalent class: CHEBI_196951
abbrev: FA 12:5

cis-17,18-methylene 24:0
type: Class
formula: C25H48O2
inchi: InChI=1S/C25H48O2/c1-2-3-4-16-19-23-22-24(23)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-25(26)27/h23-24H,2-22H2,1H3,(H,26,27)
inchikey: QCRRXUXCPKRPFU-UHFFFAOYSA-N
monoisotopicmass: 3.80365431E2
label: cis-17,18-methylene-tetracosanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 25:1

cis-13,14-methylene-heptadecanoic acid
type: Class
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-12-16-15-17(16)13-10-8-6-4-3-5-7-9-11-14-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
inchikey: BJUOWJHYDRAYTQ-UHFFFAOYSA-N
monoisotopicmass: 2.82255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 18:1

cis-11,12-methylene-pentadecanoic acid
type: Class
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-10-14-13-15(14)11-8-6-4-3-5-7-9-12-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)
inchikey: ZZXIQUPXRMELTP-UHFFFAOYSA-N
monoisotopicmass: 2.54224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 16:1

7-(2-Buta-1E,3-dienyl-phenyl)-hepta-3E,5E-dienoic acid
type: Class
formula: C16H16O2
inchi: InChI=1S/C16H16O2/c1-2-3-9-14-11-7-8-12-15(14)10-5-4-6-13-16(17)18/h2-12H,1,13H2,(H,17,18)/b6-4+,9-3+,10-5+
inchikey: BQGMIQAQNTYVNM-YISFRKSUSA-N
monoisotopicmass: 2.4011503E2
label: CVCL1
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 16:8

7-(2-Buta-2E-enyl-phenyl)-hepta-3E,5E-dienoic acid
type: Class
formula: C16H18O2
inchi: InChI=1S/C16H18O2/c1-2-3-9-14-11-7-8-12-15(14)10-5-4-6-13-16(17)18/h2-8,10-12H,9,13H2,1H3,(H,17,18)/b3-2+,6-4+,10-5+
inchikey: HUDQIHORHGUBLZ-COIQNDSSSA-N
monoisotopicmass: 2.4213068E2
label: CVCL2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 16:7

7-(2-Buta-1Z-enyl-phenyl)-hepta-3E,5E-dienoic acid
type: Class
formula: C16H18O2
inchi: InChI=1S/C16H18O2/c1-2-3-9-14-11-7-8-12-15(14)10-5-4-6-13-16(17)18/h3-12H,2,13H2,1H3,(H,17,18)/b6-4+,9-3-,10-5+
inchikey: LJPDVRJPOCOEHS-UHKPEWNPSA-N
monoisotopicmass: 2.4213068E2
label: CVCL3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 16:7

6-(2-((E)-3-oxobut-1-enyl)phenyl)hexanoic acid
type: Class
formula: C16H20O3
inchi: InChI=1S/C16H20O3/c1-13(17)11-12-15-9-6-5-8-14(15)7-3-2-4-10-16(18)19/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,18,19)/b12-11+
inchikey: LIQKTQMCDRLBJR-VAWYXSNFSA-N
monoisotopicmass: 2.60141245E2
label: Lahorenoic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 16:6;O

6-[2-[(Z)-but-1-enyl]phenyl]hex-5E-enoic acid
type: Class
formula: C16H20O2
inchi: InChI=1S/C16H20O2/c1-2-3-9-14-11-7-8-12-15(14)10-5-4-6-13-16(17)18/h3,5,7-12H,2,4,6,13H2,1H3,(H,17,18)/b9-3-,10-5+
inchikey: IBWVVIUOUKLFMN-CPIJYIFHSA-N
monoisotopicmass: 2.4414633E2
label: Lahorenoic acid C
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 16:6

5-[2-[nona-1Z,3E,5Z,7E-tetraenyl]phenyl]penta-2E,4E-dienoic acid
type: Class
formula: C20H20O2
inchi: InChI=1S/C20H20O2/c1-2-3-4-5-6-7-8-13-18-14-9-10-15-19(18)16-11-12-17-20(21)22/h2-17H,1H3,(H,21,22)/b3-2+,5-4-,7-6+,13-8-,16-11+,17-12+
inchikey: WDDIDKVGAUZJRA-DZXROGOMSA-N
monoisotopicmass: 2.9214633E2
label: Serpentene
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 20:10

5-[2-[nona-1E,3E,5E,7E-tetraenyl]phenyl]penta-2E,4E-dienoic acid
type: Class
formula: C20H20O2
inchi: InChI=1S/C20H20O2/c1-2-3-4-5-6-7-8-13-18-14-9-10-15-19(18)16-11-12-17-20(21)22/h2-17H,1H3,(H,21,22)/b3-2+,5-4+,7-6+,13-8+,16-11+,17-12+
inchikey: WDDIDKVGAUZJRA-TUQYPTARSA-N
monoisotopicmass: 2.9214633E2
label: all-trans-Serpentene
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
abbrev: FA 20:10

8-(5-hexyl-furan-2-yl)-octanoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
inchikey: SZNVIDWMWMWUCY-UHFFFAOYSA-N
monoisotopicmass: 2.94219496E2
label: Furocarpic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_34491
abbrev: FA 18:3;O

12,15-epoxy-13,14-dimethyl-12,14-eicosadienoic acid
type: Class
formula: C22H38O3
inchi: InChI=1S/C22H38O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24/h4-17H2,1-3H3,(H,23,24)
inchikey: MCTXSZNBSIMKTO-UHFFFAOYSA-N
monoisotopicmass: 3.50282096E2
label: Furanoid acid - F6
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_172575
abbrev: FA 22:3;O

3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid
type: Class
formula: C12H16O5
inchi: InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)
inchikey: WMCQWXZMVIETAO-UHFFFAOYSA-N
monoisotopicmass: 2.40099775E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_41254
abbrev: FA 12:4;O3

10,13-Epoxy-11-methyloctadeca-10,12-dienoic acid
type: Class
formula: C19H32O3
inchi: InChI=1S/C19H32O3/c1-3-4-9-12-17-15-16(2)18(22-17)13-10-7-5-6-8-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21)
inchikey: TUQVXFOSXOCQCM-UHFFFAOYSA-N
monoisotopicmass: 3.08235146E2
label: 9-(3-Methyl-5-pentylfuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_177831
abbrev: FA 19:3;O

Methyl 5-hexyl-2-Furanoctanoate
type: Class
formula: C19H32O3
inchi: InChI=1S/C19H32O3/c1-3-4-5-9-12-17-15-16-18(22-17)13-10-7-6-8-11-14-19(20)21-2/h15-16H,3-14H2,1-2H3
inchikey: ZZSFTHVENQKCDJ-UHFFFAOYSA-N
monoisotopicmass: 3.08235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:3;O

9-(3,4-dimethyl-5-propylfuran-2-yl)-nonanoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-4-11-16-14(2)15(3)17(21-16)12-9-7-5-6-8-10-13-18(19)20/h4-13H2,1-3H3,(H,19,20)
inchikey: NMZGYZMOQZXEOU-UHFFFAOYSA-N
monoisotopicmass: 2.94219496E2
label: 9-(5-propyl-3,4-dimethylfuran-2-yl)-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 18:3;O

9-(3,4-dimethyl-5-pentylfuran-2-yl)-nonanoic acid
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-4-5-10-13-18-16(2)17(3)19(23-18)14-11-8-6-7-9-12-15-20(21)22/h4-15H2,1-3H3,(H,21,22)
inchikey: GGNZKBPHAMNUOU-UHFFFAOYSA-N
monoisotopicmass: 3.22250796E2
label: 9-(5-penthyl-3,4-dimetylfuran-2-yl)-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_187029
abbrev: FA 20:3;O

11-(3,4-dimethyl-5-propylfuran-2-yl)-undecanoic acid
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-4-13-18-16(2)17(3)19(23-18)14-11-9-7-5-6-8-10-12-15-20(21)22/h4-15H2,1-3H3,(H,21,22)
inchikey: HDHYFCAMRUJRJJ-UHFFFAOYSA-N
monoisotopicmass: 3.22250796E2
label: 11-(5-propyl-3,4-dimethylfuran-2-yl)-undecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 20:3;O

11-(3-methyl-5-pentylfuran-2-yl)-undecanoic acid
type: Class
formula: C21H36O3
inchi: InChI=1S/C21H36O3/c1-3-4-11-14-19-17-18(2)20(24-19)15-12-9-7-5-6-8-10-13-16-21(22)23/h17H,3-16H2,1-2H3,(H,22,23)
inchikey: QDTBMEGPXZUECM-UHFFFAOYSA-N
monoisotopicmass: 3.36266446E2
label: 11-(5-pentyl-3-methylfuran-2-yl)-undecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_176707
abbrev: FA 21:3;O

13-(3-methyl-5-pentylfuran-2-yl)-tridecanoic acid
type: Class
formula: C23H40O3
inchi: InChI=1S/C23H40O3/c1-3-4-13-16-21-19-20(2)22(26-21)17-14-11-9-7-5-6-8-10-12-15-18-23(24)25/h19H,3-18H2,1-2H3,(H,24,25)
inchikey: JXBLMIJDQFTVIE-UHFFFAOYSA-N
monoisotopicmass: 3.64297746E2
label: 13-(5-pentyl-3-methylfuran-2-yl)-tridecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_192129
abbrev: FA 23:3;O

13-(3,4-dimethyl-5-pentylfuran-2-yl)-tridecanoic acid
type: Class
formula: C24H42O3
inchi: InChI=1S/C24H42O3/c1-4-5-14-17-22-20(2)21(3)23(27-22)18-15-12-10-8-6-7-9-11-13-16-19-24(25)26/h4-19H2,1-3H3,(H,25,26)
inchikey: RCISJPUCXSEESK-UHFFFAOYSA-N
monoisotopicmass: 3.78313396E2
label: 13-(5-pentyl-3,4-dimethylfuran-2-yl)-tridecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_195576
abbrev: FA 24:3;O

3,5-dimethyl-2-furannonanoic acid
type: Class
formula: C15H24O3
inchi: InChI=1S/C15H24O3/c1-12-11-13(2)18-14(12)9-7-5-3-4-6-8-10-15(16)17/h11H,3-10H2,1-2H3,(H,16,17)
inchikey: ZGIVGCXIXDJGBC-UHFFFAOYSA-N
monoisotopicmass: 2.52172545E2
label: 9-(3,5-dimethylfuran-2-yl)-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 15:3;O

9-(3-methyl-5-propylfuran-2-yl)-nonanoic acid
type: Class
formula: C17H28O3
inchi: InChI=1S/C17H28O3/c1-3-10-15-13-14(2)16(20-15)11-8-6-4-5-7-9-12-17(18)19/h13H,3-12H2,1-2H3,(H,18,19)
inchikey: KBPXPNAPONVMFL-UHFFFAOYSA-N
monoisotopicmass: 2.80203846E2
label: 9-(5-propyl-3-methylfuran-2-yl)-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_174000
abbrev: FA 17:3;O

11-(3-methyl-5-propylfuran-2-yl)-undecanoic acid
type: Class
formula: C19H32O3
inchi: InChI=1S/C19H32O3/c1-3-12-17-15-16(2)18(22-17)13-10-8-6-4-5-7-9-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21)
inchikey: XZOBJEOEOJXQBF-UHFFFAOYSA-N
monoisotopicmass: 3.08235146E2
label: 11-(5-propyl-3-methylfuran-2-yl)-undecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_156189
abbrev: FA 19:3;O

13-(3,4-dimethyl-5-propylfuran-2-yl)-tridecanoic acid
type: Class
formula: C22H38O3
inchi: InChI=1S/C22H38O3/c1-4-15-20-18(2)19(3)21(25-20)16-13-11-9-7-5-6-8-10-12-14-17-22(23)24/h4-17H2,1-3H3,(H,23,24)
inchikey: IGZNOKSSNQTWMY-UHFFFAOYSA-N
monoisotopicmass: 3.50282096E2
label: 13-(5-propyl-3,4-dimethylfuran-2-yl)-tridecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_177123
abbrev: FA 22:3;O

15-(3,4-dimethyl-5-propylfuran-2-yl)-pentadecanoic acid
type: Class
formula: C24H42O3
inchi: InChI=1S/C24H42O3/c1-4-17-22-20(2)21(3)23(27-22)18-15-13-11-9-7-5-6-8-10-12-14-16-19-24(25)26/h4-19H2,1-3H3,(H,25,26)
inchikey: OUOHNCBMSRPILC-UHFFFAOYSA-N
monoisotopicmass: 3.78313396E2
label: 15-(5-propyl-3,4-dimethylfuran-2-yl)-pentadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 24:3;O

11-(3,4-dimethyl-5-butylfuran-2-yl)-undecanoic acid
type: Class
formula: C21H36O3
inchi: InChI=1S/C21H36O3/c1-4-5-14-19-17(2)18(3)20(24-19)15-12-10-8-6-7-9-11-13-16-21(22)23/h4-16H2,1-3H3,(H,22,23)
inchikey: HHLJTVKQHLQNRZ-UHFFFAOYSA-N
monoisotopicmass: 3.36266446E2
label: 11-(5-butyl-3,4-dimethylfuran-2-yl)-undecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_197085
abbrev: FA 21:3;O

9-(3,4-dimethyl-5-butylfuran-2-yl)-nonanoic acid
type: Class
formula: C19H32O3
inchi: InChI=1S/C19H32O3/c1-4-5-12-17-15(2)16(3)18(22-17)13-10-8-6-7-9-11-14-19(20)21/h4-14H2,1-3H3,(H,20,21)
inchikey: IZEBSZFMLJHHME-UHFFFAOYSA-N
monoisotopicmass: 3.08235146E2
label: 9-(5-butyl-3,4-dimethylfuran-2-yl)-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_187691
abbrev: FA 19:3;O

3-(3,4-dimethyl-5-pentylfuran-2-yl)-propanoic acid
type: Class
formula: C14H22O3
inchi: InChI=1S/C14H22O3/c1-4-5-6-7-12-10(2)11(3)13(17-12)8-9-14(15)16/h4-9H2,1-3H3,(H,15,16)
inchikey: OSCJFAHVJDDMFL-UHFFFAOYSA-N
monoisotopicmass: 2.38156895E2
label: 3-(5-pentyl-3,4-dimethylfuran-2-yl)-propanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_168605
abbrev: FA 14:3;O

5-(3,4-dimethyl-5-pentylfuran-2-yl)-pentanoic acid
type: Class
formula: C16H26O3
inchi: InChI=1S/C16H26O3/c1-4-5-6-9-14-12(2)13(3)15(19-14)10-7-8-11-16(17)18/h4-11H2,1-3H3,(H,17,18)
inchikey: IVHFOCAFZRRFIX-UHFFFAOYSA-N
monoisotopicmass: 2.66188195E2
label: 5-(5-pentyl-3,4-dimethylfuran-2-yl)-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_184235
abbrev: FA 16:3;O

5-(3-methyl-5-pentylfuran-2-yl)-pentanoic acid
type: Class
formula: C15H24O3
inchi: InChI=1S/C15H24O3/c1-3-4-5-8-13-11-12(2)14(18-13)9-6-7-10-15(16)17/h11H,3-10H2,1-2H3,(H,16,17)
inchikey: OVQQXXHYNCJQNP-UHFFFAOYSA-N
monoisotopicmass: 2.52172545E2
label: 5-(5-pentyl-3-methylfuran-2-yl)-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_191627
abbrev: FA 15:3;O

7-(3-methyl-5-pentylfuran-2-yl)-heptanoic acid
type: Class
formula: C17H28O3
inchi: InChI=1S/C17H28O3/c1-3-4-7-10-15-13-14(2)16(20-15)11-8-5-6-9-12-17(18)19/h13H,3-12H2,1-2H3,(H,18,19)
inchikey: LTMUZWVWMSMAQO-UHFFFAOYSA-N
monoisotopicmass: 2.80203846E2
label: 7-(5-pentyl-3-methylfuran-2-yl)-heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_184473
abbrev: FA 17:3;O

7-(3,4-dimethyl-5-pentylfuran-2-yl)-heptanoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-4-5-8-11-16-14(2)15(3)17(21-16)12-9-6-7-10-13-18(19)20/h4-13H2,1-3H3,(H,19,20)
inchikey: RFNALLFQILGKLF-UHFFFAOYSA-N
monoisotopicmass: 2.94219496E2
label: 7-(5-pentyl-3,4-dimethylfuran-2-yl)-heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_165397
abbrev: FA 18:3;O

8-(3,4-dimethyl-5-pentylfuran-2-yl)-octanoic acid
type: Class
formula: C19H32O3
inchi: InChI=1S/C19H32O3/c1-4-5-9-12-17-15(2)16(3)18(22-17)13-10-7-6-8-11-14-19(20)21/h4-14H2,1-3H3,(H,20,21)
inchikey: OCUWCHQXBPXPEH-UHFFFAOYSA-N
monoisotopicmass: 3.08235146E2
label: 8-(5-pentyl-3,4-dimethylfuran-2-yl)-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 19:3;O

10-(3,4-dimethyl-5-pentylfuran-2-yl)-decanoic acid
type: Class
formula: C21H36O3
inchi: InChI=1S/C21H36O3/c1-4-5-11-14-19-17(2)18(3)20(24-19)15-12-9-7-6-8-10-13-16-21(22)23/h4-16H2,1-3H3,(H,22,23)
inchikey: SWOLPSUMESXJAB-UHFFFAOYSA-N
monoisotopicmass: 3.36266446E2
label: 10-(5-pentyl-3,4-dimethylfuran-2-yl)-decanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_186775
abbrev: FA 21:3;O

15-(3-methyl-5-pentylfuran-2-yl)-pentadecanoic acid
type: Class
formula: C25H44O3
inchi: InChI=1S/C25H44O3/c1-3-4-15-18-23-21-22(2)24(28-23)19-16-13-11-9-7-5-6-8-10-12-14-17-20-25(26)27/h21H,3-20H2,1-2H3,(H,26,27)
inchikey: ZXUFZNDRPGKIFV-UHFFFAOYSA-N
monoisotopicmass: 3.92329046E2
label: 15-(5-pentyl-3-methylfuran-2-yl)-pentadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 25:3;O

15-(3,4-dimethyl-5-pentylfuran-2-yl)-pentadecanoic acid
type: Class
formula: C26H46O3
inchi: InChI=1S/C26H46O3/c1-4-5-16-19-24-22(2)23(3)25(29-24)20-17-14-12-10-8-6-7-9-11-13-15-18-21-26(27)28/h4-21H2,1-3H3,(H,27,28)
inchikey: WYVWYCPRCDUPPH-UHFFFAOYSA-N
monoisotopicmass: 4.06344696E2
label: 15-(5-pentyl-3,4-dimethylfuran-2-yl)-pentadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_187706
abbrev: FA 26:3;O

5-(3-methyl-5-heptylfuran-2-yl)-pentanoic acid
type: Class
formula: C17H28O3
inchi: InChI=1S/C17H28O3/c1-3-4-5-6-7-10-15-13-14(2)16(20-15)11-8-9-12-17(18)19/h13H,3-12H2,1-2H3,(H,18,19)
inchikey: DRMAOLDHZDXOST-UHFFFAOYSA-N
monoisotopicmass: 2.80203846E2
label: 5-(5-heptyl-3-methylfuran-2-yl)-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 17:3;O

(E)-11-(3,4-dimethyl-5-(pent-1-en-1-yl)furan-2-yl)-undecanoic acid
type: Class
formula: C22H36O3
inchi: InChI=1S/C22H36O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24/h12,15H,4-11,13-14,16-17H2,1-3H3,(H,23,24)/b15-12+
inchikey: JDPJNLGDCVKZFL-NTCAYCPXSA-N
monoisotopicmass: 3.48266446E2
label: 11(E)-(3,4-dimethyl-5-(pent-1-en-1-yl)furan-2-yl)-undecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_187579
abbrev: FA 22:4;O

2-(5-((3Z,13Z)-eicosa-3,13-dien-1-yl)furan-2-yl)-acetic acid
type: Class
formula: C26H42O3
inchikey: WRGYPEJIHKRYHB-GROAESOISA-N
monoisotopicmass: 4.02313396E2
label: 2-(5-((3Z,13Z)-eicosa-3,13-dien-1-yl)furan-2-yl)-ethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_193333
abbrev: FA 26:5;O

2-(5-((2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraen-1-yl)furan-2-yl)-acetic acid
type: Class
formula: C20H26O3
inchi: InChI=1S/C20H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(23-18)17-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-
inchikey: ASCYUTAWNJPWQT-LTKCOYKYSA-N
monoisotopicmass: 3.14188195E2
label: 2-(5-((2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraen-1-yl)furan-2-yl)-ethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_183567
abbrev: FA 20:7;O

2-(5-((2Z,5Z,8Z,11E)-tetradeca-2,5,8,11-tetraen-1-yl)furan-2-yl)-acetic acid
type: Class
formula: C20H26O3
inchi: InChI=1S/C20H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(23-18)17-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,21,22)/b4-3+,7-6-,10-9-,13-12-
inchikey: ASCYUTAWNJPWQT-SVQCLFHDSA-N
monoisotopicmass: 3.14188195E2
label: 2-(5-((2Z,5Z,8Z,11E)-tetradeca-2,5,8,11-tetraen-1-yl)furan-2-yl)-ethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 20:7;O

2-furan-octanoic acid
type: Class
formula: C12H18O3
inchi: InChI=1S/C12H18O3/c13-12(14)9-5-3-1-2-4-7-11-8-6-10-15-11/h6,8,10H,1-5,7,9H2,(H,13,14)
inchikey: SXQRVQKQTIWUKR-UHFFFAOYSA-N
monoisotopicmass: 2.10125595E2
label: 2-furanoctanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_184999
abbrev: FA 12:3;O

5-heptylfuran-2-yl-heptanoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-8-11-16-14-15-17(21-16)12-9-6-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
inchikey: DIQFORWONKLMOZ-UHFFFAOYSA-N
monoisotopicmass: 2.94219496E2
label: 7-(5-heptylfuran-2-yl)-heptanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 18:3;O

5-pentyl-2-furannonanoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-8-11-16-14-15-17(21-16)12-9-6-4-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
inchikey: BJTONYHCPUUWFX-UHFFFAOYSA-N
monoisotopicmass: 2.94219496E2
label: 9-(5-pentylfuran-2-yl)-nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 18:3;O

10-(5-butylfuran-2-yl)-decanoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-11-16-14-15-17(21-16)12-9-7-5-4-6-8-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
inchikey: BHTVPEDIMFBQBB-UHFFFAOYSA-N
monoisotopicmass: 2.94219496E2
label: 5-butyl-2-furandecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 18:3;O

2-(5-hexadecylfuran-2-yl)-acetic acid
type: Class
formula: C22H38O3
inchi: InChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(25-20)19-22(23)24/h17-18H,2-16,19H2,1H3,(H,23,24)
inchikey: MYKNDMTYMCTYAG-UHFFFAOYSA-N
monoisotopicmass: 3.50282096E2
label: 5-hexadecyl-2-furanethanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_187337
abbrev: FA 22:3;O

(E)-3-(5-((E)-hept-4-en-2-ynoyl)-furan-2-yl)-acrylic acid
type: Class
formula: C14H12O4
inchi: InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3+,10-8+
inchikey: ZLZFXXJOALTVDA-FJMRRMLCSA-N
monoisotopicmass: 2.4407356E2
label: 5-((E)-hept-4-en-2-yne-1-one-1-yl)-2-furanacrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_187264
abbrev: FA 14:8;O2

3-(3-methylfuran-2,5-diyl)-dipropionic acid
type: Class
formula: C11H14O5
inchi: InChI=1S/C11H14O5/c1-7-6-8(2-4-10(12)13)16-9(7)3-5-11(14)15/h6H,2-5H2,1H3,(H,12,13)(H,14,15)
inchikey: LVVGOPQBDMGEIB-UHFFFAOYSA-N
monoisotopicmass: 2.26084125E2
label: 3-methylfuran-(2,5-diyl)-dipropionic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_185436
abbrev: FA 11:4;O3

3-(3-carboxy-4-methyl-5-pentyl-furan-2-yl)-propionic acid
type: Class
formula: C14H20O5
inchi: InChI=1S/C14H20O5/c1-3-4-5-6-10-9(2)13(14(17)18)11(19-10)7-8-12(15)16/h3-8H2,1-2H3,(H,15,16)(H,17,18)
inchikey: RIJDKRLRDVBUHJ-UHFFFAOYSA-N
monoisotopicmass: 2.68131075E2
label: 3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_165398
abbrev: FA 14:4;O3

3,4-dimethyl-5-carboxymethyl-2-furanpropanoic acid
type: Class
formula: C11H14O5
inchi: InChI=1S/C11H14O5/c1-6-7(2)9(5-11(14)15)16-8(6)3-4-10(12)13/h3-5H2,1-2H3,(H,12,13)(H,14,15)
inchikey: QFWCXMQJOBYESS-UHFFFAOYSA-N
monoisotopicmass: 2.26084125E2
label: 3-(5-carboxymethyl-3,4-dimethylfuran-2-yl)-propionic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_186700
abbrev: FA 11:4;O3

3-(5-(3-carboxypropyl)-3-methyl-furan-2-yl)-propionic acid
type: Class
formula: C12H16O5
inchi: InChI=1S/C12H16O5/c1-8-7-9(3-2-4-11(13)14)17-10(8)5-6-12(15)16/h7H,2-6H2,1H3,(H,13,14)(H,15,16)
inchikey: HZVYFXMSXIRDBK-UHFFFAOYSA-N
monoisotopicmass: 2.40099775E2
label: 3-methyl-5-carboxypropyl-2-furanpropanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_184514
abbrev: FA 12:4;O3

3,4-dimethyl-5-carboxyethyl-2-furanpropanoic acid
type: Class
formula: C12H16O5
inchi: InChI=1S/C12H16O5/c1-7-8(2)10(4-6-12(15)16)17-9(7)3-5-11(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)
inchikey: KRGCZCCLCZHGNO-UHFFFAOYSA-N
monoisotopicmass: 2.40099775E2
label: 3-(5-(2-carboxyethyl)-3,4-dimethyl-furan-2-yl)-propionic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_197102
abbrev: FA 12:4;O3

3,4-dimethyl-5-carboxyethyl-2-furanacrylic acid
type: Class
formula: C12H14O5
inchi: InChI=1S/C12H14O5/c1-7-8(2)10(4-6-12(15)16)17-9(7)3-5-11(13)14/h3,5H,4,6H2,1-2H3,(H,13,14)(H,15,16)/b5-3+
inchikey: CPSCLNDMBZOUQX-HWKANZROSA-N
monoisotopicmass: 2.38084125E2
label: 3-(5-(2-carboxyethyl)-3,4-dimethylfuran-2-yl)-2E-propenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_177978
abbrev: FA 12:5;O3

3-(5-(2-carboxyethyl)-4-methylfuran-2-yl)-2E-propenoic acid
type: Class
formula: C11H12O5
inchi: InChI=1S/C11H12O5/c1-7-6-8(2-4-10(12)13)16-9(7)3-5-11(14)15/h2,4,6H,3,5H2,1H3,(H,12,13)(H,14,15)/b4-2+
inchikey: XWVYTGBODUKBFE-DUXPYHPUSA-N
monoisotopicmass: 2.24068475E2
label: 4-methyl-5-carboxyethyl-2-furanacrylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_168027
abbrev: FA 11:5;O3

3,4-dimethyl-5-carboxyethyl-2-furanbutanoic acid
type: Class
formula: C13H18O5
inchi: InChI=1S/C13H18O5/c1-8-9(2)11(6-7-13(16)17)18-10(8)4-3-5-12(14)15/h3-7H2,1-2H3,(H,14,15)(H,16,17)
inchikey: ZRPKUEWUJNRCRJ-UHFFFAOYSA-N
monoisotopicmass: 2.54115425E2
label: 4-(5-(3-carboxyethyl)-3,4-dimethylfuran-2-yl)butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_193225
abbrev: FA 13:4;O3

4-methyl-5-carboxyethyl-2-furanpentanoic acid
type: Class
formula: C13H18O5
inchi: InChI=1S/C13H18O5/c1-9-8-10(4-2-3-5-12(14)15)18-11(9)6-7-13(16)17/h8H,2-7H2,1H3,(H,14,15)(H,16,17)
inchikey: VVSJZDOVZWFSID-UHFFFAOYSA-N
monoisotopicmass: 2.54115425E2
label: 5-(5-(3-carboxyethyl)-4-methylfuran-2-yl)pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_193420
abbrev: FA 13:4;O3

3,4-dimethyl-5-carboxyethyl-2-furanpentanoic acid
type: Class
formula: C14H20O5
inchi: InChI=1S/C14H20O5/c1-9-10(2)12(7-8-14(17)18)19-11(9)5-3-4-6-13(15)16/h3-8H2,1-2H3,(H,15,16)(H,17,18)
inchikey: KLVVTPGUDQKTHU-UHFFFAOYSA-N
monoisotopicmass: 2.68131075E2
label: 5-(5-(2-carboxyethyl)-3,4-dimethylfuran-2-yl)pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_168340
abbrev: FA 14:4;O3

2-carboxyethyl-5-furanpentanoic acid
type: Class
formula: C12H16O5
inchi: InChI=1S/C12H16O5/c13-11(14)4-2-1-3-9-5-6-10(17-9)7-8-12(15)16/h5-6H,1-4,7-8H2,(H,13,14)(H,15,16)
inchikey: BLYHZIBKUKIQDU-UHFFFAOYSA-N
monoisotopicmass: 2.40099775E2
label: 5-(5-(2-carboxyethyl)furan-2-yl)pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_187095
abbrev: FA 12:4;O3

3,4-dimethyl-5-propyl-2-furanoctanoic acid;
type: Class
formula: C17H28O3
inchi: InChI=1S/C17H28O3/c1-4-10-15-13(2)14(3)16(20-15)11-8-6-5-7-9-12-17(18)19/h4-12H2,1-3H3,(H,18,19)
inchikey: JGGAKHTVIUIVPQ-UHFFFAOYSA-N
monoisotopicmass: 2.80203846E2
label: 8-(3,4-dimethyl-5-propylfuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_168216
abbrev: FA 17:3;O

3-methyl-5-pentyl-2-furanoctanoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-3-4-8-11-16-14-15(2)17(21-16)12-9-6-5-7-10-13-18(19)20/h14H,3-13H2,1-2H3,(H,19,20)
inchikey: GJOKICFSPOJZMU-UHFFFAOYSA-N
monoisotopicmass: 2.94219496E2
label: 8-(3-methyl-5-pentylfuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 18:3;O

3-(3-carboxy-4-methyl-5-(1-hydroxypropyl)-furan-2-yl)-propionic acid
type: Class
formula: C12H16O6
inchi: InChI=1S/C12H16O6/c1-3-7(13)11-6(2)10(12(16)17)8(18-11)4-5-9(14)15/h7,13H,3-5H2,1-2H3,(H,14,15)(H,16,17)
inchikey: OZOJARPUDFLESM-UHFFFAOYSA-N
monoisotopicmass: 2.5609469E2
label: 3-carboxy-4-methyl-5-(1-hydroxypropyl)-2-furanpropionic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_169118
abbrev: FA 12:4;O4

3,4-dimethyl-5-carboxyethyl-2-furanhexanoic acid
type: Class
formula: C15H22O5
inchi: InChI=1S/C15H22O5/c1-10-11(2)13(8-9-15(18)19)20-12(10)6-4-3-5-7-14(16)17/h3-9H2,1-2H3,(H,16,17)(H,18,19)
inchikey: ISVSHKJFDAGMDH-UHFFFAOYSA-N
monoisotopicmass: 2.82146725E2
label: 5-(2-carboxyethyl)-3,4-dimethyl-furan-2-yl-hexanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_186708
abbrev: FA 15:4;O3

3,4-dimethyl-5-carboxybutyl-2-furanpentanoic acid
type: Class
formula: C16H24O5
inchi: InChI=1S/C16H24O5/c1-11-12(2)14(8-4-6-10-16(19)20)21-13(11)7-3-5-9-15(17)18/h3-10H2,1-2H3,(H,17,18)(H,19,20)
inchikey: VYGIMSNQGYUTNQ-UHFFFAOYSA-N
monoisotopicmass: 2.96162375E2
label: 5-(4-carboxybutyl)-3,4-dimethyl-furan-2-yl-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_187482
abbrev: FA 16:4;O3

3,4-dimethyl-5-carboxypropyl-2-furanpentanoic acid
type: Class
formula: C15H22O5
inchi: InChI=1S/C15H22O5/c1-10-11(2)13(7-5-9-15(18)19)20-12(10)6-3-4-8-14(16)17/h3-9H2,1-2H3,(H,16,17)(H,18,19)
inchikey: ZQVQWQOKMMAWIW-UHFFFAOYSA-N
monoisotopicmass: 2.82146725E2
label: 5-(3-carboxypropyl)-3,4-dimethyl-furan-2-yl-pentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_185520
abbrev: FA 15:4;O3

(E)-5-(2-carboxyethylene)-3,4-dimethyl-furan-2-yl-pentanoic acid
type: Class
formula: C14H18O5
inchi: InChI=1S/C14H18O5/c1-9-10(2)12(7-8-14(17)18)19-11(9)5-3-4-6-13(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)/b8-7+
inchikey: AXLKYJXAYKGUBW-BQYQJAHWSA-N
monoisotopicmass: 2.66115425E2
label: 3,4-dimethyl-5-carboxyethylene-2-furanpentanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_168339
abbrev: FA 14:5;O3

3-carboxy-4-methyl-5-(1E-propylen-1-yl)-furan-2-yl-propanoic acid
type: Class
formula: C12H14O5
inchi: InChI=1S/C12H14O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-4H,5-6H2,1-2H3,(H,13,14)(H,15,16)/b4-3+
inchikey: GTXDMFICGCDJOC-ONEGZZNKSA-N
monoisotopicmass: 2.38084125E2
label: 3-carboxy-4-methyl-5-propylene-2-furanpropanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_186135
abbrev: FA 12:5;O3

3-carboxy-4-methyl-5-(4-oxopentyl)-2-furanpropanoic acid
type: Class
formula: C14H18O6
inchi: InChI=1S/C14H18O6/c1-8(15)4-3-5-10-9(2)13(14(18)19)11(20-10)6-7-12(16)17/h3-7H2,1-2H3,(H,16,17)(H,18,19)
inchikey: OWPHNZJOHJVXST-UHFFFAOYSA-N
monoisotopicmass: 2.8211034E2
label: 3-carboxy-4-methyl-5-(4-oxopentyl)-furan-2-yl-propanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_185438
abbrev: FA 14:5;O4

3-carboxy-4-methyl-5-(4-hydroxypentyl)-2-furanpropanoic acid
type: Class
formula: C14H20O6
inchi: InChI=1S/C14H20O6/c1-8(15)4-3-5-10-9(2)13(14(18)19)11(20-10)6-7-12(16)17/h8,15H,3-7H2,1-2H3,(H,16,17)(H,18,19)
inchikey: AVEHUFGEHJWCFG-UHFFFAOYSA-N
monoisotopicmass: 2.8412599E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10115
equivalent class: CHEBI_177113
abbrev: FA 14:4;O4

5-(3-heptanyl)-3-methyl-furan-2-yl-prope-2E-noic acid
type: Class
formula: C15H22O3
inchi: InChI=1S/C15H22O3/c1-3-4-5-6-7-8-13-11-12(2)14(18-13)9-10-15(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)/b10-9+
inchikey: MYRXTTUJWHOMGE-MDZDMXLPSA-N
monoisotopicmass: 2.50156895E2
label: Mumiamicin
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 15:4;O

3-(2-methoxy-10-(methoxycarbonyl)-8-methyldodeca-2Z,6E,8E,10E-tetraenoyl)-3(R),4(R)-epoxy-5-hydroxy-5-methylpyrrolidin-2-one
type: Class
formula: C21H27NO7
inchi: InChI=1S/C21H27NO7/c1-6-14(17(24)28-5)12-13(2)10-8-7-9-11-15(27-4)16(23)21-18(29-21)20(3,26)22-19(21)25/h6,8,10-12,18,26H,7,9H2,1-5H3,(H,22,25)/b10-8+,13-12+,14-6+,15-11-/t18-,20?,21-/m0/s1
inchikey: CPEDKPCCJNVROC-UFRPGBNKSA-N
monoisotopicmass: 4.05178754E2
label: Epolactaene
subclass of: https://www.lipidmaps.org/rdf/category/10115

(+)-petromyric acid A
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-10-14(19)17-13-15(20)16(23-17)11-8-5-4-6-9-12-18(21)22/h14-17,19-20H,2-13H2,1H3,(H,21,22)/t14-,15+,16+,17-/m1/s1
inchikey: FXZLDZNKMMKORQ-LTIDMASMSA-N
monoisotopicmass: 3.30240626E2
label: (2S,3S,5R)-tetrahydro-3-hydroxy-5-[(1R)-1-hydroxyhexyl]-2-furanoctanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10115
abbrev: FA 18:1;O3

6-O-[3-hydroxy-2-tetradecyloctadec-11E-enoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside
type: Class
formula: C44H82O13
inchi: InChI=1S/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(46)32(28-26-24-22-20-18-16-14-12-10-8-6-4-2)42(53)54-31-35-37(48)39(50)41(52)44(56-35)57-43-40(51)38(49)36(47)34(30-45)55-43/h13,15,32-41,43-52H,3-12,14,16-31H2,1-2H3/b15-13+/t32?,33?,34-,35-,36-,37-,38+,39+,40-,41-,43-,44-/m1/s1
inchikey: DIYJLQPZULMTGY-HNBCZZSGSA-N
monoisotopicmass: 8.18575547E2
label: alpha,alpha'-Trehalose 6-mycolate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_18234
abbrev: FA 44:3;O11

6-O-[3-hydroxy-2-tetradecyloctadec-11E-enoyl]-alpha-D-glucopyranosyl 6-O-[3-hydroxy-2-tetradecyloctadec-11E-enoyl]-alpha-D-glucopyranoside
type: Class
formula: C76H142O15
inchi: InChI=1S/C76H142O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,61-72,75-84H,5-24,27-28,31-60H2,1-4H3/b29-25+,30-26+/t61?,62?,63?,64?,65-,66-,67-,68-,69+,70+,71-,72-,75+,76+/m1/s1
inchikey: VTTNQXWXPJHFRB-KFCDKCKESA-N
monoisotopicmass: 1.295034878E3
label: alpha,alpha'-Trehalose 6,6'-bismycolate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 76:5;O13

2-docosyl-3-hydroxy-pentapentaconta-21E,36Z-dienoic acid
type: Class
formula: C77H150O3
inchikey: OTBHVUMGIGNBIY-FZQKJBIYSA-N
monoisotopicmass: 1.123158498E3
label: alpha-Semegma mycolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_35061
abbrev: FA 77:2;O

(20E)-2-docosyl-3-hydroxy-39-(nonadecan-2-yloxy)-39-oxononatriacont-20-enoic acid
type: Class
formula: C80H156O5
inchikey: GSDWNFKYFGGJJH-WCWDXBQESA-N
monoisotopicmass: 1.197195278E3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_59476
abbrev: FA 80:2;O3

(2R)-2-[(1R)-1-hydroxy-16-{(1R,2S)-2-[(20S)-20-methyl-19-oxooctatriacontyl]cyclopropyl}hexadecyl]hexacosanoic acid
type: Class
formula: C84H166O4
inchikey: LQRWPROGZHUOSE-ZTRAQNFOSA-N
monoisotopicmass: 1.239278613E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62596
abbrev: FA 84:1;O2

(2R)-2-[(1R)-1-hydroxy-16-{(1S,2R)-2-[(19S,20S)-19-hydroxy-20-methyloctatriacontyl]cyclopropyl}hexadecyl]hexacosanoic acid
type: Class
formula: C84H166O4
inchikey: LQRWPROGZHUOSE-CGQPVWOFSA-N
monoisotopicmass: 1.239278613E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62595
abbrev: FA 84:1;O2

(2R)-2-[(1R)-1-hydroxy-16-{(1S,2R)-2-[(20S)-20-methyl-19-oxooctatriacontyl]cyclopropyl}hexadecyl]hexacosanoic acid
type: Class
formula: C84H164O4
inchikey: YVKMSRXZEVQXKZ-PKFBDJRRSA-N
monoisotopicmass: 1.237262963E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62587
abbrev: FA 84:2;O2

(2R)-2-[(1R)-1-hydroxy-17-{(1R,2R)-2-[(2R)-22-methyl-21-oxotetracontan-2-yl]cyclopropyl}heptadecyl]hexacosanoic acid
type: Class
formula: C87H170O4
inchikey: DVNAMZNTINAEPO-YYDWZTKSSA-N
monoisotopicmass: 1.279309913E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62588
abbrev: FA 87:2;O2

(2R)-2-[(1R)-1-hydroxy-17-{(1R,2R)-2-[(2R,21R,22R)-21-hydroxy-22-methyltetracontan-2-yl]cyclopropyl}heptadecyl]hexacosanoic acid
type: Class
formula: C87H172O4
inchikey: VQIFBMCPLMTMMN-BQAHLDFFSA-N
monoisotopicmass: 1.281325563E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62598
abbrev: FA 87:1;O2

(2R)-2-[(1R)-1-hydroxy-17-{(1R,2R)-2-[(2R,21S,22S)-21-hydroxy-22-methyltetracontan-2-yl]cyclopropyl}heptadecyl]hexacosanoic acid
type: Class
formula: C87H172O4
inchikey: VQIFBMCPLMTMMN-GZMMDVSMSA-N
monoisotopicmass: 1.281325563E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62597
abbrev: FA 87:1;O2

(2R)-2-[(1R)-1-hydroxy-18-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methylhexatriacontyl]cyclopropyl}octadecyl]hexacosanoic acid
type: Class
formula: C85H168O4
inchikey: AAIWMXAOKUXQTP-MQCQKMNGSA-N
monoisotopicmass: 1.253294263E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62591
abbrev: FA 85:1;O2

(2R)-2-[(1R)-1-hydroxy-18-{(1R,2S)-2-[(17S,18S)-17-methoxy-18-methylhexatriacontyl]cyclopropyl}octadecyl]hexacosanoic acid
type: Class
formula: C85H168O4
inchikey: AAIWMXAOKUXQTP-VYWHOSGGSA-N
monoisotopicmass: 1.253294263E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62590
abbrev: FA 85:1;O2

(2R)-2-[(1R)-1-hydroxy-18-{(1S,2R)-2-[(17R,18R)-17-methoxy-18-methylhexatriacontyl]cyclopropyl}octadecyl]hexacosanoic acid
type: Class
formula: C85H168O4
inchikey: AAIWMXAOKUXQTP-QEJDOUKDSA-N
monoisotopicmass: 1.253294263E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62592
abbrev: FA 85:1;O2

(2R)-2-[(1R)-1-hydroxy-18-{(1S,2R)-2-[(17S,18S)-17-methoxy-18-methylhexatriacontyl]cyclopropyl}octadecyl]hexacosanoic acid
type: Class
formula: C85H168O4
inchikey: AAIWMXAOKUXQTP-XAJBLSMSSA-N
monoisotopicmass: 1.253294263E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62593
abbrev: FA 85:1;O2

(2R)-2-[(1R)-1-hydroxy-19-{(1R,2R)-2-[(2R,19S,20S)-19-methoxy-20-methyloctatriacontan-2-yl]cyclopropyl}nonadecyl]hexacosanoic acid
type: Class
formula: C88H174O4
inchikey: WKMCKGUOFOKHPR-DYTYEKQISA-N
monoisotopicmass: 1.295341213E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62594
abbrev: FA 88:1;O2

(2R)-2-{(1R)-1-hydroxy-12-[(1R,2S)-2-{14-[(1R,2S)-2-icosylcyclopropyl]tetradecyl}cyclopropyl]dodecyl}hexacosanoic acid
type: Class
formula: C78H152O3
inchikey: UJPOZISPJYFURI-BWMTUFAZSA-N
monoisotopicmass: 1.137174148E3
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62584
abbrev: FA 78:2;O

(2R)-2-{(1R)-1-hydroxy-12-[(1S,2R)-2-{14-[(1S,2R)-2-icosylcyclopropyl]tetradecyl}cyclopropyl]dodecyl}hexacosanoic acid
type: Class
formula: C78H152O3
inchikey: UJPOZISPJYFURI-VJVVQYFQSA-N
monoisotopicmass: 1.137174148E3
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62582
abbrev: FA 78:2;O

(2R)-2-{(1R)-1-hydroxy-16-[(1R,2S)-2-(20-methyl-19-oxooctatriacontyl)cyclopropyl]hexadecyl}hexacosanoic acid
type: Class
formula: C84H164O4
inchikey: YVKMSRXZEVQXKZ-KDCFMQBJSA-N
monoisotopicmass: 1.237262963E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_62586
abbrev: FA 84:2;O2

2-{1-hydroxy-18-[2-(18-methyl-17-oxohexatriacontyl)cyclopropyl]octadecyl}tetracosanoic acid
type: Class
formula: C82H160O4
inchikey: TWLOFRDXDXQZKV-UHFFFAOYSA-N
monoisotopicmass: 1.209231663E3
label: keto mycolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_59234
abbrev: FA 82:2;O2

2-{1-hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoic acid
type: Class
formula: C81H158O4
inchikey: UABNIVVXQNTSRT-UHFFFAOYSA-N
monoisotopicmass: 1.195216013E3
label: keto meromycolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_74248
abbrev: FA 81:2;O2

2-(1-hydroxy-16-{2-[14-(2-octadecylcyclopropyl)tetradecyl]cyclopropyl}hexadecyl)hexacosanoic acid
type: Class
formula: C80H156O3
inchikey: PBYNMDCXAUWQCG-UHFFFAOYSA-N
monoisotopicmass: 1.165205448E3
label: alpha-mycolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_59235
abbrev: FA 80:2;O

2-{1-hydroxy-18-[2-(17-methoxy-18-methylhexatriacontyl)cyclopropyl]octadecyl}tetracosanoic acid
type: Class
formula: C83H164O4
inchikey: KZLRXNDCHXPYTL-UHFFFAOYSA-N
monoisotopicmass: 1.225262963E3
label: methoxy mycolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_59233
abbrev: FA 83:1;O2

3-hydroxy-2-tetradecyldotriacontanoic acid
type: Class
formula: C46H92O3
inchikey: DKXQWQBYCTXRSN-UHFFFAOYSA-N
monoisotopicmass: 6.92704647E2
label: R. ruber mycolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
equivalent class: CHEBI_60923
abbrev: FA 46:0;O

2-eicosyl-3-hydroxy-tritriaconta-16Z-enoic acid
type: Class
formula: C53H104O3
inchikey: QZQWRJSFQAJVOZ-ZIADKAODSA-N
monoisotopicmass: 7.88798547E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 53:1;O

2-eicosyl-3-hydroxy-pentatriaconta-16Z-enoic acid
type: Class
formula: C55H108O3
inchikey: IYNRHNGPYQLYOO-KTMFPKCZSA-N
monoisotopicmass: 8.16829847E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 55:1;O

2-eicosyl-3-hydroxy-heptatriaconta-16Z-enoic acid
type: Class
formula: C57H112O3
inchikey: XFRBJGNYNFTDGZ-KARKAFJISA-N
monoisotopicmass: 8.44861147E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 57:1;O

2-docosyl-3-hydroxy-tritriaconta-16Z-enoic acid
type: Class
formula: C56H110O3
inchikey: ZVEGUVJUILUDOX-KTMFPKCZSA-N
monoisotopicmass: 8.30845497E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 56:1;O

2-docosyl-3-hydroxy-pentatriaconta-16Z-enoic acid
type: Class
formula: C58H114O3
inchikey: WZYRBWLVWSDTCX-KARKAFJISA-N
monoisotopicmass: 8.58876797E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 58:1;O

2-docosyl-3-hydroxy-heptatriaconta-16Z-enoic acid
type: Class
formula: C59H116O3
inchikey: CIMAYIBOJIGRKJ-YHZPTAEISA-N
monoisotopicmass: 8.72892447E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 59:1;O

2-tetracosyl-3-hydroxy-tritriaconta-16Z-enoic acid
type: Class
formula: C57H112O3
inchikey: GFOYAXIPQDZBRV-KTMFPKCZSA-N
monoisotopicmass: 8.44861147E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 57:1;O

2-tetracosyl-3-hydroxy-pentatriaconta-16Z-enoic acid
type: Class
formula: C59H116O3
inchikey: WTTXMHAUJRBKGG-KARKAFJISA-N
monoisotopicmass: 8.72892447E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 59:1;O

2-tetracosyl-3-hydroxy-heptatriaconta-16Z-enoic acid
type: Class
formula: C61H120O3
inchikey: MSIXDKUMQUTVAZ-KNWKATPGSA-N
monoisotopicmass: 9.00923747E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 61:1;O

2-eicosyl-3-hydroxy-pentatriaconta-18Z-enoic acid
type: Class
formula: C55H108O3
inchikey: MHAGZPOSBINVJP-ZIADKAODSA-N
monoisotopicmass: 8.16829847E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 55:1;O

2-eicosyl-3-hydroxy-heptatriaconta-18Z-enoic acid
type: Class
formula: C57H112O3
inchikey: OXLOOIDKOODMMJ-KTMFPKCZSA-N
monoisotopicmass: 8.44861147E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 57:1;O

2-eicosyl-3-hydroxy-nonatriaconta-18Z-enoic acid
type: Class
formula: C59H116O3
inchikey: GUEBRALAPCAPSH-KARKAFJISA-N
monoisotopicmass: 8.72892447E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 59:1;O

2-docosyl-3-hydroxy-pentatriaconta-18Z-enoic acid
type: Class
formula: C57H112O3
inchikey: ZSDOAEUYXDKKFJ-FLWNBWAVSA-N
monoisotopicmass: 8.44861147E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 57:1;O

2-docosyl-3-hydroxy-heptatriaconta-18Z-enoic acid
type: Class
formula: C59H116O3
inchikey: VQDZZLJPKQXGJX-MVJHLKBCSA-N
monoisotopicmass: 8.72892447E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 59:1;O

2-docosyl-3-hydroxy-nonatriaconta-18Z-enoic acid
type: Class
formula: C61H120O3
inchikey: VXRPPPHRZSAFNR-YHZPTAEISA-N
monoisotopicmass: 9.00923747E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 61:1;O

2-tetracosyl-3-hydroxy-pentatriaconta-18Z-enoic acid
type: Class
formula: C59H116O3
inchikey: ZGJMCJVZZIHMHY-KTMFPKCZSA-N
monoisotopicmass: 8.72892447E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 59:1;O

2-tetracosyl-3-hydroxy-heptatriaconta-18Z-enoic acid
type: Class
formula: C61H120O3
inchikey: BYODKXVKUZYFCT-KARKAFJISA-N
monoisotopicmass: 9.00923747E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 61:1;O

2-tetracosyl-3-hydroxy-nonatriaconta-18Z-enoic acid
type: Class
formula: C63H124O3
inchikey: CKKDNDNNDIEXME-KNWKATPGSA-N
monoisotopicmass: 9.28955047E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 63:1;O

2-eicosyl-3-hydroxy-heptatriaconta-20Z-enoic acid
type: Class
formula: C57H112O3
inchikey: CLQHOQZVWXKLHH-ZIADKAODSA-N
monoisotopicmass: 8.44861147E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 57:1;O

2-eicosyl-3-hydroxy-nonatriaconta-20Z-enoic acid
type: Class
formula: C59H116O3
inchikey: DMEUOOXVPXGZBD-KTMFPKCZSA-N
monoisotopicmass: 8.72892447E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 59:1;O

2-eicosyl-3-hydroxy-hentetraconta-20Z-enoic acid
type: Class
formula: C61H120O3
inchikey: CNJOHXKRMSXVBH-KARKAFJISA-N
monoisotopicmass: 9.00923747E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 61:1;O

2-docosyl-3-hydroxy-heptatriaconta-20Z-enoic acid
type: Class
formula: C59H116O3
inchikey: XOOOPNXNBDMLIV-FLWNBWAVSA-N
monoisotopicmass: 8.72892447E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 59:1;O

2-docosyl-3-hydroxy-nonatriaconta-20Z-enoic acid
type: Class
formula: C61H120O3
inchikey: LMUZVJIZHIEBDQ-MVJHLKBCSA-N
monoisotopicmass: 9.00923747E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 61:1;O

2-docosyl-3-hydroxy-hentetraconta-20Z-enoic acid
type: Class
formula: C63H124O3
inchikey: KDUWCIBLTSVAOQ-YHZPTAEISA-N
monoisotopicmass: 9.28955047E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 63:1;O

2-tetracosyl-3-hydroxy-heptatriaconta-20Z-enoic acid
type: Class
formula: C61H120O3
inchikey: NFKQYJKRQVHBGK-KTMFPKCZSA-N
monoisotopicmass: 9.00923747E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 61:1;O

2-tetracosyl-3-hydroxy-nonatriaconta-20Z-enoic acid
type: Class
formula: C63H124O3
inchikey: HITHOYKZNBEOGQ-KARKAFJISA-N
monoisotopicmass: 9.28955047E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 63:1;O

2-tetracosyl-3-hydroxy-hentetraconta-20Z-enoic acid
type: Class
formula: C65H128O3
inchikey: SRFVGUHOSYVHKF-KNWKATPGSA-N
monoisotopicmass: 9.56986347E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 65:1;O

2-eicosyl-3-hydroxy-32-methoxy-33-methyl-nonatetracontanoic acid
type: Class
formula: C71H142O4
inchikey: YDFAPGXSEXMEDL-UHFFFAOYSA-N
monoisotopicmass: 1.059090812E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 71:0;O2

2-eicosyl-3-hydroxy-32-methoxy-33-methyl-henpentacontanoic acid
type: Class
formula: C73H146O4
inchikey: MJRVUYFCLHEIAV-UHFFFAOYSA-N
monoisotopicmass: 1.087122113E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 73:0;O2

2-eicosyl-3-hydroxy-32-methoxy-33-methyl-tripentacontanoic acid
type: Class
formula: C75H150O4
inchikey: PEMONVMKNFTEFD-UHFFFAOYSA-N
monoisotopicmass: 1.115153413E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 75:0;O2

2-eicosyl-3-hydroxy-36-methoxy-37-methyl-tripentacontanoic acid
type: Class
formula: C75H150O4
inchikey: NAEXEWAUQGBNAH-UHFFFAOYSA-N
monoisotopicmass: 1.115153413E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 75:0;O2

2-eicosyl-3-hydroxy-36-methoxy-37-methyl-pentapentacontanoic acid
type: Class
formula: C77H154O4
inchikey: PLMQSAQCPNXAAZ-UHFFFAOYSA-N
monoisotopicmass: 1.143184713E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 77:0;O2

2-eicosyl-3-hydroxy-36-methoxy-37-methyl-heptapentacontanoic acid
type: Class
formula: C79H158O4
inchikey: QCEQELHEBFAYRA-UHFFFAOYSA-N
monoisotopicmass: 1.171216013E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 79:0;O2

2-eicosyl-3-hydroxy-40-methoxy-41-methyl-heptapentacontanoic acid
type: Class
formula: C79H158O4
inchikey: AVLSNHTXOMLAIN-UHFFFAOYSA-N
monoisotopicmass: 1.171216013E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 79:0;O2

2-eicosyl-3-hydroxy-40-methoxy-41-methyl-nonapentacontanoic acid
type: Class
formula: C81H162O4
inchikey: OUDCKFTWDOPMIE-UHFFFAOYSA-N
monoisotopicmass: 1.199247313E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 81:0;O2

2-eicosyl-3-hydroxy-40-methoxy-41-methyl-henhexacontanoic acid
type: Class
formula: C83H166O4
inchikey: VPJWYBRKWWJDNN-UHFFFAOYSA-N
monoisotopicmass: 1.227278613E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 83:0;O2

2-docosyl-3-hydroxy-32-methoxy-33-methyl-nonatetracontanoic acid
type: Class
formula: C73H146O4
inchikey: FOBQYBJOJJUIMT-UHFFFAOYSA-N
monoisotopicmass: 1.087122113E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 73:0;O2

2-docosyl-3-hydroxy-32-methoxy-33-methyl-henpentacontanoic acid
type: Class
formula: C75H150O4
inchikey: XZQSNCNZZSHSAM-UHFFFAOYSA-N
monoisotopicmass: 1.115153413E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 75:0;O2

2-docosyl-3-hydroxy-32-methoxy-33-methyl-tripentacontanoic acid
type: Class
formula: C77H154O4
inchikey: ZWEBYDBJHLLLKB-UHFFFAOYSA-N
monoisotopicmass: 1.143184713E3
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 77:0;O2

2-tetracosyl-3-hydroxy-32-methoxy-33-methyl-nonatetracontanoic acid
type: Class
formula: C74H148O4
inchikey: FLXBKMSOYVHOLU-UHFFFAOYSA-N
monoisotopicmass: 1.101137763E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 74:0;O2

2-tetracosyl-3-hydroxy-32-methoxy-33-methyl-henpentacontanoic acid
type: Class
formula: C76H152O4
inchikey: LRXCVFCSKICUJS-UHFFFAOYSA-N
monoisotopicmass: 1.129169063E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 76:0;O2

2-tetracosyl-3-hydroxy-32-methoxy-33-methyl-tripentacontanoic acid
type: Class
formula: C79H158O4
inchikey: UZSREQRADDLEKS-UHFFFAOYSA-N
monoisotopicmass: 1.171216013E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 79:0;O2

2-eicosyl-3-hydroxy-32-oxo-33-methyl-nonatetracontanoic acid
type: Class
formula: C70H138O4
inchikey: KROKDWVVUKMZFP-UHFFFAOYSA-N
monoisotopicmass: 1.043059512E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 70:1;O2

2-eicosyl-3-hydroxy-32-oxo-33-methyl-henpentacontanoic acid
type: Class
formula: C72H142O4
inchikey: BSDIWRBAJNCVGR-UHFFFAOYSA-N
monoisotopicmass: 1.071090812E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 72:1;O2

2-eicosyl-3-hydroxy-32-oxo-33-methyl-tripentacontanoic acid
type: Class
formula: C74H146O4
inchikey: VWGTVOJWDFNMAX-UHFFFAOYSA-N
monoisotopicmass: 1.099122113E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 74:1;O2

2-docosyl-3-hydroxy-32-oxo-33-methyl-nonatetracontanoic acid
type: Class
formula: C72H142O4
inchikey: CDRBIRRDUBIHDS-UHFFFAOYSA-N
monoisotopicmass: 1.071090812E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 72:1;O2

2-docosyl-3-hydroxy-32-oxo-33-methyl-henpentacontanoic acid
type: Class
formula: C74H146O4
inchikey: GWUMTQWXSORZFI-UHFFFAOYSA-N
monoisotopicmass: 1.099122113E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 74:1;O2

2-docosyl-3-hydroxy-32-oxo-33-methyl-tripentacontanoic acid
type: Class
formula: C76H150O4
inchikey: HIVDUAMLTRKYML-UHFFFAOYSA-N
monoisotopicmass: 1.127153413E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 76:1;O2

2-tetracosyl-3-hydroxy-32-oxo-33-methyl-nonatetracontanoic acid
type: Class
formula: C74H146O4
inchikey: RHFHYACNIMVUCH-UHFFFAOYSA-N
monoisotopicmass: 1.099122113E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 74:1;O2

2-tetracosyl-3-hydroxy-32-oxo-33-methyl-henpentacontanoic acid
type: Class
formula: C76H150O4
inchikey: YMIKVBXCNVOQFA-UHFFFAOYSA-N
monoisotopicmass: 1.127153413E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 76:1;O2

2-tetracosyl-3-hydroxy-32-oxo-33-methyl-tripentacontanoic acid
type: Class
formula: C78H154O4
inchikey: VTTBKAQVHZOKIR-UHFFFAOYSA-N
monoisotopicmass: 1.155184713E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 78:1;O2

2-eicosyl-3-hydroxy-36-oxo-37-methyl-tripentacontanoic acid
type: Class
formula: C74H146O4
inchikey: VKCWJYRMIUQBTH-UHFFFAOYSA-N
monoisotopicmass: 1.099122113E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 74:1;O2

2-eicosyl-3-hydroxy-36-oxo-37-methyl-pentapentacontanoic acid
type: Class
formula: C76H150O4
inchikey: HJEYHNCRBMDFJH-UHFFFAOYSA-N
monoisotopicmass: 1.127153413E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 76:1;O2

2-eicosyl-3-hydroxy-36-oxo-37-methyl-heptapentacontanoic acid
type: Class
formula: C78H154O4
inchikey: BIRMKPDGSNYIHU-UHFFFAOYSA-N
monoisotopicmass: 1.155184713E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 78:1;O2

2-docosyl-3-hydroxy-36-oxo-37-methyl-tripentacontanoic acid
type: Class
formula: C76H150O4
inchikey: NERDGSXRPPIOIN-UHFFFAOYSA-N
monoisotopicmass: 1.127153413E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 76:1;O2

2-docosyl-3-hydroxy-36-oxo-37-methyl-pentapentacontanoic acid
type: Class
formula: C78H154O4
inchikey: DWAVYRULDHNJDW-UHFFFAOYSA-N
monoisotopicmass: 1.155184713E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 78:1;O2

2-docosyl-3-hydroxy-36-oxo-37-methyl-heptapentacontanoic acid
type: Class
formula: C80H158O4
inchikey: GRYKFEVKOKDXQK-UHFFFAOYSA-N
monoisotopicmass: 1.183216013E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 80:1;O2

2-tetracosyl-3-hydroxy-36-oxo-37-methyl-tripentacontanoic acid
type: Class
formula: C78H154O4
inchikey: ANHQMARPYFXYCS-UHFFFAOYSA-N
monoisotopicmass: 1.155184713E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 78:1;O2

2-tetracosyl-3-hydroxy-36-oxo-37-methyl-pentapentacontanoic acid
type: Class
formula: C80H158O4
inchikey: VHVGVNIXPAGAEV-UHFFFAOYSA-N
monoisotopicmass: 1.183216013E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 80:1;O2

2-tetracosyl-3-hydroxy-36-oxo-37-methyl-heptapentacontanoic acid
type: Class
formula: C82H162O4
inchikey: AKXDTEZQZMKVOE-UHFFFAOYSA-N
monoisotopicmass: 1.211247313E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 82:1;O2

2-eicosyl-3-hydroxy-40-oxo-41-methyl-heptapentacontanoic acid
type: Class
formula: C78H154O4
inchikey: NWXXPYGKIUXVTM-UHFFFAOYSA-N
monoisotopicmass: 1.155184713E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 78:1;O2

2-eicosyl-3-hydroxy-40-oxo-41-methyl-nonapentacontanoic acid
type: Class
formula: C80H158O4
inchikey: JKRURHOUECGVCE-UHFFFAOYSA-N
monoisotopicmass: 1.183216013E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 80:1;O2

2-eicosyl-3-hydroxy-40-oxo-41-methyl-henhexacontanoic acid
type: Class
formula: C82H162O4
inchikey: ATXKNQAUJCDDEZ-UHFFFAOYSA-N
monoisotopicmass: 1.211247313E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 82:1;O2

2-docosyl-3-hydroxy-40-oxo-41-methyl-heptapentacontanoic acid
type: Class
formula: C80H158O4
inchikey: BDOSWYQJDDDMJQ-UHFFFAOYSA-N
monoisotopicmass: 1.183216013E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 80:1;O2

2-docosyl-3-hydroxy-40-oxo-41-methyl-nonapentacontanoic acid
type: Class
formula: C82H162O4
inchikey: BECBWVVCNIYUCG-UHFFFAOYSA-N
monoisotopicmass: 1.211247313E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 82:1;O2

2-docosyl-3-hydroxy-40-oxo-41-methyl-henhexacontanoic acid
type: Class
formula: C84H166O4
inchikey: LCSUBFNWGFLOCX-UHFFFAOYSA-N
monoisotopicmass: 1.239278613E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 84:1;O2

2-tetracosyl-3-hydroxy-40-oxo-41-methyl-heptapentacontanoic acid
type: Class
formula: C82H162O4
inchikey: YSMJAZPQNFSAGV-UHFFFAOYSA-N
monoisotopicmass: 1.211247313E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 82:1;O2

2-tetracosyl-3-hydroxy-40-oxo-41-methyl-nonapentacontanoic acid
type: Class
formula: C84H166O4
inchikey: XDVSKCMCLGNEHW-UHFFFAOYSA-N
monoisotopicmass: 1.239278613E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 84:1;O2

2-tetracosyl-3-hydroxy-40-oxo-41-methyl-henhexacontanoic acid
type: Class
formula: C86H170O4
inchikey: OXQQFKCAINHNMF-UHFFFAOYSA-N
monoisotopicmass: 1.267309913E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 86:1;O2

2-eicosyl-3-hydroxy-28,29-epoxy-30-methyl-hexatetracontanoic acid
type: Class
formula: C67H132O4
inchikey: OTYDYPKEWJATIT-UHFFFAOYSA-N
monoisotopicmass: 1.001012562E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 67:1;O2

2-eicosyl-3-hydroxy-28,29-epoxy-30-methyl-octatetracontanoic acid
type: Class
formula: C69H136O4
inchikey: BIUFDHMWMXVRPX-UHFFFAOYSA-N
monoisotopicmass: 1.029043862E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 69:1;O2

2-eicosyl-3-hydroxy-28,29-epoxy-30-methyl-pentacontanoic acid
type: Class
formula: C71H140O4
inchikey: JPVHBTQDHKGQSF-UHFFFAOYSA-N
monoisotopicmass: 1.057075162E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 71:1;O2

2-docosyl-3-hydroxy-28,29-epoxy-30-methyl-hexatetracontanoic acid
type: Class
formula: C69H136O4
inchikey: RQGXOBSSHVDVRY-UHFFFAOYSA-N
monoisotopicmass: 1.029043862E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 69:1;O2

2-docosyl-3-hydroxy-28,29-epoxy-30-methyl-octatetracontanoic acid
type: Class
formula: C71H140O4
inchikey: GPGZKMMYUKGXBW-UHFFFAOYSA-N
monoisotopicmass: 1.057075162E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 71:1;O2

2-docosyl-3-hydroxy-28,29-epoxy-30-methyl-pentacontanoic acid
type: Class
formula: C73H144O4
inchikey: USZVARYXJXNBBQ-UHFFFAOYSA-N
monoisotopicmass: 1.085106462E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 73:1;O2

2-tetracosyl-3-hydroxy-28,29-epoxy-30-methyl-hexatetracontanoic acid
type: Class
formula: C71H140O4
inchikey: HWRQBHGEZJEFQR-UHFFFAOYSA-N
monoisotopicmass: 1.057075162E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 71:1;O2

2-tetracosyl-3-hydroxy-28,29-epoxy-30-methyl-octatetracontanoic acid
type: Class
formula: C73H144O4
inchikey: PWDXZBPFQGEOPH-UHFFFAOYSA-N
monoisotopicmass: 1.085106462E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 73:1;O2

2-tetracosyl-3-hydroxy-28,29-epoxy-30-methyl-pentacontanoic acid
type: Class
formula: C75H148O4
inchikey: AHXZBNZFESCLPY-UHFFFAOYSA-N
monoisotopicmass: 1.113137763E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 75:1;O2

2-eicosyl-3-hydroxy-32,33-epoxy-34-methyl-pentacontanoic acid
type: Class
formula: C71H140O4
inchikey: YJVNTJRYLRCTSX-UHFFFAOYSA-N
monoisotopicmass: 1.057075162E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 71:1;O2

2-eicosyl-3-hydroxy-32,33-epoxy-34-methyl-dopentacontanoic acid
type: Class
formula: C73H144O4
inchikey: FHOVIBCIGWMLDO-UHFFFAOYSA-N
monoisotopicmass: 1.085106462E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 73:1;O2

2-eicosyl-3-hydroxy-32,33-epoxy-34-methyl-tetrapentacontanoic acid
type: Class
formula: C75H148O4
inchikey: WHIBQNPMMYCGKP-UHFFFAOYSA-N
monoisotopicmass: 1.113137763E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 75:1;O2

2-docosyl-3-hydroxy-32,33-epoxy-34-methyl-pentacontanoic acid
type: Class
formula: C73H144O4
inchikey: OSCKPQNBXFSWKR-UHFFFAOYSA-N
monoisotopicmass: 1.085106462E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 73:1;O2

2-docosyl-3-hydroxy-32,33-epoxy-34-methyl-dopentacontanoic acid
type: Class
formula: C75H148O4
inchikey: TVVNGPXWNCBMJX-UHFFFAOYSA-N
monoisotopicmass: 1.113137763E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 75:1;O2

2-docosyl-3-hydroxy-32,33-epoxy-34-methyl-tetrapentacontanoic acid
type: Class
formula: C77H152O4
inchikey: NGFFEBKDQYDNKU-UHFFFAOYSA-N
monoisotopicmass: 1.141169063E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 77:1;O2

2-tetracosyl-3-hydroxy-32,33-epoxy-34-methyl-pentacontanoic acid
type: Class
formula: C75H148O4
inchikey: XXVGQIXGGTUSTA-UHFFFAOYSA-N
monoisotopicmass: 1.113137763E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 75:1;O2

2-tetracosyl-3-hydroxy-32,33-epoxy-34-methyl-dopentacontanoic acid
type: Class
formula: C77H152O4
inchikey: FWUJIEZRRPCVDN-UHFFFAOYSA-N
monoisotopicmass: 1.141169063E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 77:1;O2

2-tetracosyl-3-hydroxy-32,33-epoxy-34-methyl-tetrapentacontanoic acid
type: Class
formula: C79H156O4
inchikey: GIKHEPSCJSNYEW-UHFFFAOYSA-N
monoisotopicmass: 1.169200363E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 79:1;O2

2-eicosyl-3-hydroxy-36,37-epoxy-38-methyl-tetrapentacontanoic acid
type: Class
formula: C75H148O4
inchikey: DVRKPXZMROPYNH-UHFFFAOYSA-N
monoisotopicmass: 1.113137763E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 75:1;O2

2-eicosyl-3-hydroxy-36,37-epoxy-38-methyl-hexapentacontanoic acid
type: Class
formula: C77H152O4
inchikey: BUVWAYONAFBUDB-UHFFFAOYSA-N
monoisotopicmass: 1.141169063E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 77:1;O2

2-eicosyl-3-hydroxy-36,37-epoxy-38-methyl-octapentacontanoic acid
type: Class
formula: C79H156O4
inchikey: HPCQMKQAQAFVPU-UHFFFAOYSA-N
monoisotopicmass: 1.169200363E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 79:1;O2

2-docosyl-3-hydroxy-36,37-epoxy-38-methyl-tetrapentacontanoic acid
type: Class
formula: C77H152O4
inchikey: WUGNBISJZASWEL-UHFFFAOYSA-N
monoisotopicmass: 1.141169063E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 77:1;O2

2-docosyl-3-hydroxy-36,37-epoxy-38-methyl-hexapentacontanoic acid
type: Class
formula: C79H156O4
inchikey: BVRFFYPCXGIMNE-UHFFFAOYSA-N
monoisotopicmass: 1.169200363E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 79:1;O2

2-docosyl-3-hydroxy-36,37-epoxy-38-methyl-octapentacontanoic acid
type: Class
formula: C81H160O4
inchikey: VRNYJRXQSXUQEU-UHFFFAOYSA-N
monoisotopicmass: 1.197231663E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 81:1;O2

2-tetracosyl-3-hydroxy-36,37-epoxy-38-methyl-tetrapentacontanoic acid
type: Class
formula: C79H156O4
inchikey: WVACURXOJXHKNS-UHFFFAOYSA-N
monoisotopicmass: 1.169200363E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 79:1;O2

2-tetracosyl-3-hydroxy-36,37-epoxy-38-methyl-hexapentacontanoic acid
type: Class
formula: C81H160O4
inchikey: XAIMDFZTOHPBGL-UHFFFAOYSA-N
monoisotopicmass: 1.197231663E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 81:1;O2

2-tetracosyl-3-hydroxy-36,37-epoxy-38-methyl-octapentacontanoic acid
type: Class
formula: C83H164O4
inchikey: LJYDISFYSMKJRO-UHFFFAOYSA-N
monoisotopicmass: 1.225262963E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 83:1;O2

2-eicosyl-3-hydroxy-30-carboxy-triacontanoic acid
type: Class
formula: C51H100O5
inchikey: RZBQJFZXCXYQFY-UHFFFAOYSA-N
monoisotopicmass: 7.92757077E2
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 51:1;O3

2-eicosyl-3-hydroxy-34-carboxy-tetratriacontanoic acid
type: Class
formula: C55H108O5
inchikey: LZVHYQHWZQWCRH-UHFFFAOYSA-N
monoisotopicmass: 8.48819677E2
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 55:1;O3

2-eicosyl-3-hydroxy-38-carboxy-octatriacontanoic acid
type: Class
formula: C59H116O5
inchikey: SNEOWMFZDUVGEI-UHFFFAOYSA-N
monoisotopicmass: 9.04882277E2
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 59:1;O3

2-docosyl-3-hydroxy-30-carboxy-triacontanoic acid
type: Class
formula: C53H104O5
inchikey: NPGMEUVEZPBJSH-UHFFFAOYSA-N
monoisotopicmass: 8.20788377E2
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 53:1;O3

2-docosyl-3-hydroxy-34-carboxy-tetratriacontanoic acid
type: Class
formula: C57H112O5
inchikey: TYTITJPPDRLFOU-UHFFFAOYSA-N
monoisotopicmass: 8.76850977E2
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 57:1;O3

2-docosyl-3-hydroxy-38-carboxy-tetratriacontanoic acid
type: Class
formula: C61H120O5
inchikey: HATQJKZKPGRYTB-UHFFFAOYSA-N
monoisotopicmass: 9.32913577E2
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 61:1;O3

2-tetracosyl-3-hydroxy-30-carboxy-triacontanoic acid
type: Class
formula: C55H108O5
inchikey: VEQJYFLESBINTL-UHFFFAOYSA-N
monoisotopicmass: 8.48819677E2
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 55:1;O3

2-tetracosyl-3-hydroxy-34-carboxy-tetratriacontanoic acid
type: Class
formula: C59H116O5
inchikey: ORCMPHRLNLVNBT-UHFFFAOYSA-N
monoisotopicmass: 9.04882277E2
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 59:1;O3

2-tetracosyl-3-hydroxy-38-carboxy-octatriacontanoic acid
type: Class
formula: C63H124O5
inchikey: ILVZUGORBDJKHW-UHFFFAOYSA-N
monoisotopicmass: 9.60944877E2
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 63:1;O3

2-eicosyl-3-hydroxy-46-methoxy-heptatetracontanoic acid
type: Class
formula: C68H136O4
inchikey: AYPMBRDUQVSGEF-UHFFFAOYSA-N
monoisotopicmass: 1.017043862E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 68:0;O2

2-docosyl-3-hydroxy-46-methoxy-heptatetracontanoic acid
type: Class
formula: C70H140O4
inchikey: JBTOQTAFBBAQBX-UHFFFAOYSA-N
monoisotopicmass: 1.045075162E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 70:0;O2

2-tetracosyl-3-hydroxy-46-methoxy-heptatetracontanoic acid
type: Class
formula: C72H144O4
inchikey: QBJXERZZFOYAJV-UHFFFAOYSA-N
monoisotopicmass: 1.073106462E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 72:0;O2

2-eicosyl-3-hydroxy-51-methoxy-dopentacontanoic acid
type: Class
formula: C74H148O4
inchikey: HJZRBZRCPOQJIE-UHFFFAOYSA-N
monoisotopicmass: 1.101137763E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 74:0;O2

2-docosyl-3-hydroxy-51-methoxy-dopentacontanoic acid
type: Class
formula: C76H152O4
inchikey: AEIRXHLOUCIWAN-UHFFFAOYSA-N
monoisotopicmass: 1.129169063E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 76:0;O2

2-tetracosyl-3-hydroxy-51-methoxy-dopentacontanoic acid
type: Class
formula: C78H156O4
inchikey: BFGHNGISFGPNJI-UHFFFAOYSA-N
monoisotopicmass: 1.157200363E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 78:0;O2

2-eicosyl-3-hydroxy-57-methoxy-octapentacontanoic acid
type: Class
formula: C80H160O4
inchikey: CPWIMGWJUQRXQG-UHFFFAOYSA-N
monoisotopicmass: 1.185231663E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 80:0;O2

2-docosyl-3-hydroxy-57-methoxy-octapentacontanoic acid
type: Class
formula: C82H164O4
inchikey: GYPOHWBECIPKSP-UHFFFAOYSA-N
monoisotopicmass: 1.213262963E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 82:0;O2

2-tetracosyl-3-hydroxy-57-methoxy-octapentacontanoic acid
type: Class
formula: C84H168O4
inchikey: PQSDEGMIOCPBPZ-UHFFFAOYSA-N
monoisotopicmass: 1.241294263E3
subclass of: https://www.lipidmaps.org/rdf/category/10116
abbrev: FA 84:0;O2

1,8-octanedioic acid
type: Class
formula: C8H14O4
inchi: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
inchikey: TYFQFVWCELRYAO-UHFFFAOYSA-N
monoisotopicmass: 1.7408921E2
label: Suberic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI 9300
equivalent class: SLM_000000721
abbrev: FA 8:1;O2

2E-dodecenedioic acid
type: Class
formula: C12H20O4
inchi: InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+
inchikey: MAZWDMBCPDUFDJ-VQHVLOKHSA-N
monoisotopicmass: 2.2813616E2
label: Traumatic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_545687
abbrev: FA 12:2;O2

2E,4E,6Z,8Z-Decatetraenedioic acid
type: Class
formula: C10H10O4
inchi: InChI=1S/C10H10O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H,(H,11,12)(H,13,14)/b3-1-,4-2+,7-5-,8-6+
inchikey: QHYKVJVPIJCRRT-AVWWOMFMSA-N
monoisotopicmass: 1.9405791E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_186715
abbrev: FA 10:5;O2

2E,4Z,6Z,8Z-Decatetraenedioic acid
type: Class
formula: C10H10O4
inchi: InChI=1S/C10H10O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H,(H,11,12)(H,13,14)/b3-1-,4-2-,7-5-,8-6+
inchikey: QHYKVJVPIJCRRT-URDDPPBGSA-N
monoisotopicmass: 1.9405791E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_186128
abbrev: FA 10:5;O2

2E,4E,6E,8E-Decatetraenedioic acid
type: Class
formula: C10H10O4
inchi: InChI=1S/C10H10O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H,(H,11,12)(H,13,14)/b3-1+,4-2+,7-5+,8-6+
inchikey: QHYKVJVPIJCRRT-QEQQUMNJSA-N
monoisotopicmass: 1.9405791E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_49057
abbrev: FA 10:5;O2

Decanedioic acid
type: Class
formula: C10H18O4
inchi: InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
inchikey: CXMXRPHRNRROMY-UHFFFAOYSA-N
monoisotopicmass: 2.0212051E2
label: Sebacic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_41865
equivalent class: SLM_000000722
abbrev: FA 10:1;O2

Undecanedioic acid
type: Class
formula: C11H20O4
inchi: InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
inchikey: LWBHHRRTOZQPDM-UHFFFAOYSA-N
monoisotopicmass: 2.1613616E2
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_73713
abbrev: FA 11:1;O2

2E,4E,8E,10E-Dodecatetraenedioic acid
type: Class
formula: C12H14O4
inchi: InChI=1S/C12H14O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h3-10H,1-2H2,(H,13,14)(H,15,16)/b5-3+,6-4+,9-7+,10-8+
inchikey: SXPCMUCUZSVRMB-MIIZMDLZSA-N
monoisotopicmass: 2.2208921E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_73715
abbrev: FA 12:5;O2

Dodecanedioic acid
type: Class
formula: C12H22O4
inchi: InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
inchikey: TVIDDXQYHWJXFK-UHFFFAOYSA-N
monoisotopicmass: 2.3015181E2
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI 4676
equivalent class: SLM_000000717
abbrev: FA 12:1;O2

2-methyl-dodecanedioic acid
type: Class
formula: C13H24O4
inchi: InChI=1S/C13H24O4/c1-11(13(16)17)9-7-5-3-2-4-6-8-10-12(14)15/h11H,2-10H2,1H3,(H,14,15)(H,16,17)
inchikey: WQASHJMJHNWVAP-UHFFFAOYSA-N
monoisotopicmass: 2.4416746E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_169014
abbrev: FA 13:1;O2

3-methyl-dodecanedioic acid
type: Class
formula: C13H24O4
inchi: InChI=1S/C13H24O4/c1-11(10-13(16)17)8-6-4-2-3-5-7-9-12(14)15/h11H,2-10H2,1H3,(H,14,15)(H,16,17)
inchikey: LFRDJQLRELTNCX-UHFFFAOYSA-N
monoisotopicmass: 2.4416746E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_179524
abbrev: FA 13:1;O2

4-methyl-dodecanedioic acid
type: Class
formula: C13H24O4
inchi: InChI=1S/C13H24O4/c1-11(9-10-13(16)17)7-5-3-2-4-6-8-12(14)15/h11H,2-10H2,1H3,(H,14,15)(H,16,17)
inchikey: KKWNWFFSNXXEFH-UHFFFAOYSA-N
monoisotopicmass: 2.4416746E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_179525
abbrev: FA 13:1;O2

6-methyl-dodecanedioic acid
type: Class
formula: C13H24O4
inchi: InChI=1S/C13H24O4/c1-11(8-5-6-10-13(16)17)7-3-2-4-9-12(14)15/h11H,2-10H2,1H3,(H,14,15)(H,16,17)
inchikey: UKNHHXHMIJAHJZ-UHFFFAOYSA-N
monoisotopicmass: 2.4416746E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_179526
abbrev: FA 13:1;O2

Brassylic acid
type: Class
formula: C13H24O4
inchi: InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
inchikey: DXNCZXXFRKPEPY-UHFFFAOYSA-N
monoisotopicmass: 2.4416746E2
label: Tridecanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_73718
abbrev: FA 13:1;O2

2-methyl-tridecanedioic acid
type: Class
formula: C14H26O4
inchi: InChI=1S/C14H26O4/c1-12(14(17)18)10-8-6-4-2-3-5-7-9-11-13(15)16/h12H,2-11H2,1H3,(H,15,16)(H,17,18)
inchikey: BNDKRNYIWRVFJZ-UHFFFAOYSA-N
monoisotopicmass: 2.5818311E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_165378
abbrev: FA 14:1;O2

3-methyl-tridecanedioic acid
type: Class
formula: C14H26O4
inchi: InChI=1S/C14H26O4/c1-12(11-14(17)18)9-7-5-3-2-4-6-8-10-13(15)16/h12H,2-11H2,1H3,(H,15,16)(H,17,18)
inchikey: XGGBLUZXXAOZCR-UHFFFAOYSA-N
monoisotopicmass: 2.5818311E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_178381
abbrev: FA 14:1;O2

4-methyl-tridecanedioic acid
type: Class
formula: C14H26O4
inchi: InChI=1S/C14H26O4/c1-12(10-11-14(17)18)8-6-4-2-3-5-7-9-13(15)16/h12H,2-11H2,1H3,(H,15,16)(H,17,18)
inchikey: CBWZQKMGWFWYMF-UHFFFAOYSA-N
monoisotopicmass: 2.5818311E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_178382
abbrev: FA 14:1;O2

Tetradecanedioic acid
type: Class
formula: C14H26O4
inchi: InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
inchikey: HQHCYKULIHKCEB-UHFFFAOYSA-N
monoisotopicmass: 2.5818311E2
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_76308
equivalent class: SLM_000000723
abbrev: FA 14:1;O2

3-methyl-tetradecanedioic acid
type: Class
formula: C15H28O4
inchi: InChI=1S/C15H28O4/c1-13(12-15(18)19)10-8-6-4-2-3-5-7-9-11-14(16)17/h13H,2-12H2,1H3,(H,16,17)(H,18,19)
inchikey: HTLFNPZXCRJHSI-UHFFFAOYSA-N
monoisotopicmass: 2.72198761E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_165381
abbrev: FA 15:1;O2

5-methyl-tetradecanedioic acid
type: Class
formula: C15H28O4
inchi: InChI=1S/C15H28O4/c1-13(10-8-12-15(18)19)9-6-4-2-3-5-7-11-14(16)17/h13H,2-12H2,1H3,(H,16,17)(H,18,19)
inchikey: TVZISBAEBOPHEZ-UHFFFAOYSA-N
monoisotopicmass: 2.72198761E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_187779
abbrev: FA 15:1;O2

Pentadecanedioic acid
type: Class
formula: C15H28O4
inchi: InChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)
inchikey: BTZVDPWKGXMQFW-UHFFFAOYSA-N
monoisotopicmass: 2.72198761E2
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_165387
abbrev: FA 15:1;O2

Hexadecanedioic acid
type: Class
formula: C16H30O4
inchi: InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
inchikey: QQHJDPROMQRDLA-UHFFFAOYSA-N
monoisotopicmass: 2.86214411E2
label: Thapsic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_73722
equivalent class: SLM_000000718
abbrev: FA 16:1;O2

2-methyl-hexadecanedioic acid
type: Class
formula: C17H32O4
inchi: InChI=1S/C17H32O4/c1-15(17(20)21)13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
inchikey: LCEXLICTPWSGLL-UHFFFAOYSA-N
monoisotopicmass: 3.00230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_169304
abbrev: FA 17:1;O2

3-methyl-hexadecanedioic acid
type: Class
formula: C17H32O4
inchi: InChI=1S/C17H32O4/c1-15(14-17(20)21)12-10-8-6-4-2-3-5-7-9-11-13-16(18)19/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
inchikey: RMCPRRDMUKXQID-UHFFFAOYSA-N
monoisotopicmass: 3.00230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_193377
abbrev: FA 17:1;O2

4-methyl-hexadecanedioic acid
type: Class
formula: C17H32O4
inchi: InChI=1S/C17H32O4/c1-15(13-14-17(20)21)11-9-7-5-3-2-4-6-8-10-12-16(18)19/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
inchikey: KSYZCGLLQVZXFS-UHFFFAOYSA-N
monoisotopicmass: 3.00230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 17:1;O2

5-methyl-hexadecanedioic acid
type: Class
formula: C17H32O4
inchi: InChI=1S/C17H32O4/c1-15(12-10-14-17(20)21)11-8-6-4-2-3-5-7-9-13-16(18)19/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
inchikey: HBCNXZPHAHVHRK-UHFFFAOYSA-N
monoisotopicmass: 3.00230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 17:1;O2

8-methyl-hexadecanedioic acid
type: Class
formula: C17H32O4
inchi: InChI=1S/C17H32O4/c1-15(12-8-5-6-10-14-17(20)21)11-7-3-2-4-9-13-16(18)19/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
inchikey: AUZCEKNHWOIGQH-UHFFFAOYSA-N
monoisotopicmass: 3.00230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 17:1;O2

Heptadecanedioic acid
type: Class
formula: C17H32O4
inchi: InChI=1S/C17H32O4/c18-16(19)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h1-15H2,(H,18,19)(H,20,21)
inchikey: QCNWZROVPSVEJA-UHFFFAOYSA-N
monoisotopicmass: 3.00230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_165386
abbrev: FA 17:1;O2

Octadecanedioic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)
inchikey: BNJOQKFENDDGSC-UHFFFAOYSA-N
monoisotopicmass: 3.14245711E2
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_133086
abbrev: FA 18:1;O2

9,10-dihydroxy-Octadecanedioic acid
type: Class
formula: C18H34O6
inchi: InChI=1S/C18H34O6/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)24/h15-16,19-20H,1-14H2,(H,21,22)(H,23,24)
inchikey: NQBSWIGTUPEPIH-UHFFFAOYSA-N
monoisotopicmass: 3.46235541E2
label: Floionic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_187765
abbrev: FA 18:1;O4

2E-Decenedioic acid
type: Class
formula: C10H16O4
inchi: InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h5,7H,1-4,6,8H2,(H,11,12)(H,13,14)/b7-5+
inchikey: XUNMWLWTZWWEIE-FNORWQNLSA-N
monoisotopicmass: 2.0010486E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_137808
abbrev: FA 10:2;O2

2Z-Dodecenedioic acid
type: Class
formula: C12H20O4
inchi: InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7-
inchikey: MAZWDMBCPDUFDJ-CLFYSBASSA-N
monoisotopicmass: 2.2813616E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_169695
abbrev: FA 12:2;O2

20-carboxy Arachidonic Acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1,3-4,6-7,9-10,12H,2,5,8,11,13-18H2,(H,21,22)(H,23,24)/b3-1-,6-4-,9-7-,12-10-
inchikey: BGOJKUCHTMYINI-DTLRTWKJSA-N
monoisotopicmass: 3.34214411E2
label: 5Z,8Z,11Z,14Z-Eicosatetraenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_76966
abbrev: FA 20:5;O2

Eicosanedioic acid
type: Class
formula: C20H38O4
inchi: InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)
inchikey: JJOJFIHJIRWASH-UHFFFAOYSA-N
monoisotopicmass: 3.42277011E2
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_73728
abbrev: FA 20:1;O2

Heneicosa-1,21-dioic acid
type: Class
formula: C21H40O4
inchi: InChI=1S/C21H40O4/c22-20(23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(24)25/h1-19H2,(H,22,23)(H,24,25)
inchikey: PWLXTFFHCFWCGG-UHFFFAOYSA-N
monoisotopicmass: 3.56292661E2
label: Japanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_165385
abbrev: FA 21:1;O2

Docosanedioic acid
type: Class
formula: C22H42O4
inchi: InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)
inchikey: DGXRZJSPDXZJFG-UHFFFAOYSA-N
monoisotopicmass: 3.70308311E2
label: Phellogenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/104
equivalent class: CHEBI_76319
equivalent class: SLM_000389360
abbrev: FA 22:1;O2

Tricosanedioic acid
type: Class
formula: C23H44O4
inchi: InChI=1S/C23H44O4/c24-22(25)20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23(26)27/h1-21H2,(H,24,25)(H,26,27)
inchikey: QJXPRGZXRIIGOP-UHFFFAOYSA-N
monoisotopicmass: 3.84323961E2
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_137784
abbrev: FA 23:1;O2

Tetracosanedioic acid
type: Class
formula: C24H46O4
inchi: InChI=1S/C24H46O4/c25-23(26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24(27)28/h1-22H2,(H,25,26)(H,27,28)
inchikey: QXGVRGZJILVMDF-UHFFFAOYSA-N
monoisotopicmass: 3.98339611E2
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_165388
abbrev: FA 24:1;O2

Hexacosanedioic acid
type: Class
formula: C26H50O4
inchi: InChI=1S/C26H50O4/c27-25(28)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26(29)30/h1-24H2,(H,27,28)(H,29,30)
inchikey: JJWZFUFNJNGKAF-UHFFFAOYSA-N
monoisotopicmass: 4.26370911E2
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_76334
equivalent class: SLM_000389362
abbrev: FA 26:1;O2

Malonic acid
type: Class
formula: C3H4O4
inchi: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
inchikey: OFOBLEOULBTSOW-UHFFFAOYSA-N
monoisotopicmass: 1.0401096E2
label: Propanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_30794
equivalent class: SLM_000000866
abbrev: FA 3:1;O2

Equisetolic acid
type: Class
formula: C30H58O4
inchi: InChI=1S/C30H58O4/c31-29(32)27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30(33)34/h1-28H2,(H,31,32)(H,33,34)
inchikey: JADFUOUIMWDTFX-UHFFFAOYSA-N
monoisotopicmass: 4.82433511E2
label: Triacontanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_165389
abbrev: FA 30:1;O2

Butanedioic acid
type: Class
formula: C4H6O4
inchi: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
inchikey: KDYFGRWQOYBRFD-UHFFFAOYSA-N
monoisotopicmass: 1.1802661E2
label: Succinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_15741
equivalent class: SLM_000000892
abbrev: FA 4:1;O2

4E-Decenedioic acid
type: Class
formula: C10H16O4
inchi: InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1,3H,2,4-8H2,(H,11,12)(H,13,14)/b3-1+
inchikey: CXGDCGIPEJKSCK-HNQUOIGGSA-N
monoisotopicmass: 2.0010486E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_165382
abbrev: FA 10:2;O2

4Z-Decenedioic acid
type: Class
formula: C10H16O4
inchi: InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1,3H,2,4-8H2,(H,11,12)(H,13,14)/b3-1-
inchikey: CXGDCGIPEJKSCK-IWQZZHSRSA-N
monoisotopicmass: 2.0010486E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_89730
abbrev: FA 10:2;O2

2-methylene-4-oxo-pentanedioic acid
type: Class
formula: C6H6O5
inchi: InChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h1-2H2,(H,8,9)(H,10,11)
inchikey: OARCEFMISOKEKI-UHFFFAOYSA-N
monoisotopicmass: 1.58021525E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI 1898
abbrev: FA 6:3;O3

Adipic acid
type: Class
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
inchikey: WNLRTRBMVRJNCN-UHFFFAOYSA-N
monoisotopicmass: 1.4605791E2
label: Hexanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_30832
equivalent class: SLM_000000720
abbrev: FA 6:1;O2

2-Hydroxyadipic acid
type: Class
formula: C6H10O5
inchi: InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
inchikey: OTTXIFWBPRRYOG-UHFFFAOYSA-N
monoisotopicmass: 1.62052825E2
label: 2-hydroxy-Hexanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_17023
abbrev: FA 6:1;O3

2S-hydroxy-Hexanedioic acid
type: Class
formula: C6H10O5
inchi: InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m0/s1
inchikey: OTTXIFWBPRRYOG-BYPYZUCNSA-N
monoisotopicmass: 1.62052825E2
label: 2S-hydroxyadipic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_178680
abbrev: FA 6:1;O3

Heptanedioic acid
type: Class
formula: C7H12O4
inchi: InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
inchikey: WLJVNTCWHIRURA-UHFFFAOYSA-N
monoisotopicmass: 1.6007356E2
label: Pimelic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_30531
abbrev: FA 7:1;O2

4-hydroxy-2-oxo-Heptanedioic acid
type: Class
formula: C7H10O6
inchi: InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)
inchikey: HNOAJOYERZTSNK-UHFFFAOYSA-N
monoisotopicmass: 1.9004774E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_73089
abbrev: FA 7:2;O4

8E-Heptadecenedioic acid
type: Class
formula: C17H30O4
inchi: InChI=1S/C17H30O4/c18-16(19)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h1-2H,3-15H2,(H,18,19)(H,20,21)/b2-1+
inchikey: VDTSYDDUGXHLDV-OWOJBTEDSA-N
monoisotopicmass: 2.98214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_165383
abbrev: FA 17:2;O2

Azelaic acid
type: Class
formula: C9H16O4
inchi: InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
inchikey: BDJRBEYXGGNYIS-UHFFFAOYSA-N
monoisotopicmass: 1.8810486E2
label: Nonanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_48131
abbrev: FA 9:1;O2

9Z-Octadecenedioic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2H,3-16H2,(H,19,20)(H,21,22)/b2-1-
inchikey: SBLKVIQSIHEQOF-UPHRSURJSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/102
equivalent class: CHEBI_176959
abbrev: FA 18:2;O2

9-hydroxy-hexadecan-1,16-dioic acid
type: Class
formula: C16H30O5
inchi: InChI=1S/C16H30O5/c17-14(11-7-4-5-9-13-16(20)21)10-6-2-1-3-8-12-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21)
inchikey: GZQVGXLMHGPBET-UHFFFAOYSA-N
monoisotopicmass: 3.02209326E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_165390
abbrev: FA 16:1;O3

10-hydroxy-hexadecan-1,16-dioic acid
type: Class
formula: C16H30O5
inchi: InChI=1S/C16H30O5/c17-14(11-7-5-9-13-16(20)21)10-6-3-1-2-4-8-12-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21)
inchikey: BNKCVLYEVLBHCL-UHFFFAOYSA-N
monoisotopicmass: 3.02209326E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_169754
abbrev: FA 16:1;O3

9-hydroxy-16-oxo-hexadecanoic acid
type: Class
formula: C16H30O4
inchi: InChI=1S/C16H30O4/c17-14-10-6-2-4-8-12-15(18)11-7-3-1-5-9-13-16(19)20/h14-15,18H,1-13H2,(H,19,20)
inchikey: ZEOCBNZYNJLVHK-UHFFFAOYSA-N
monoisotopicmass: 2.86214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_138500
abbrev: FA 16:1;O2

10-hydroxy-16-oxo-hexadecanoic acid
type: Class
formula: C16H30O4
inchi: InChI=1S/C16H30O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h14-15,18H,1-13H2,(H,19,20)
inchikey: VGISDMZERQFDDQ-UHFFFAOYSA-N
monoisotopicmass: 2.86214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_178688
abbrev: FA 16:1;O2

2-hydroxy-2-butenedioic acid
type: Class
formula: C4H4O5
inchi: InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-
inchikey: UWYVPFMHMJIBHE-UPHRSURJSA-N
monoisotopicmass: 1.32005875E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_28394
abbrev: FA 4:2;O3

2,4-dihydroxy-2-heptenedioc acid
type: Class
formula: C7H10O6
inchi: InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)/b5-3-
inchikey: APNIDHDQYISZAE-HYXAFXHYSA-N
monoisotopicmass: 1.9004774E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_165377
abbrev: FA 7:2;O4

2-methylenebutanedioic acid
type: Class
formula: C5H6O4
inchi: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
inchikey: LVHBHZANLOWSRM-UHFFFAOYSA-N
monoisotopicmass: 1.3002661E2
label: Itaconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_30838
abbrev: FA 5:2;O2

2-hydroxy-3-propylbutanedioic acid
type: Class
formula: C7H12O5
inchi: InChI=1S/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)
inchikey: LOLHYFQEDPGSHZ-UHFFFAOYSA-N
monoisotopicmass: 1.76068475E2
label: 3-propylmalic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_30850
abbrev: FA 7:1;O3

3-maleylpyruvic acid
type: Class
formula: C7H6O6
inchi: InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)/b2-1-
inchikey: AZCFLHZUFANAOR-UPHRSURJSA-N
monoisotopicmass: 1.8601644E2
label: 4,6-dioxo-2Z-heptenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_30859
abbrev: FA 7:4;O4

4,6-dioxo-2E-octenedioic acid
type: Class
formula: C8H8O6
inchi: InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1+
inchikey: GACSIVHAIFQKTC-OWOJBTEDSA-N
monoisotopicmass: 2.0003209E2
label: 4-fumarylacetoacetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_30907
abbrev: FA 8:4;O4

4-oxo-2E-hexenedioic acid
type: Class
formula: C6H6O5
inchi: InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)/b2-1+
inchikey: SOXXPQLIZIPMIZ-OWOJBTEDSA-N
monoisotopicmass: 1.58021525E2
label: fumarylacetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_37160
abbrev: FA 6:3;O3

3-methyl-2E-pentenedioic acid
type: Class
formula: C6H8O4
inchi: InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
inchikey: WKRBKYFIJPGYQC-DUXPYHPUSA-N
monoisotopicmass: 1.4404226E2
label: 3E-methylglutaconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_37245
abbrev: FA 6:2;O2

3-oxoheptanedioic acid
type: Class
formula: C7H10O5
inchi: InChI=1S/C7H10O5/c8-5(4-7(11)12)2-1-3-6(9)10/h1-4H2,(H,9,10)(H,11,12)
inchikey: IYNRULSFFKEOLT-UHFFFAOYSA-N
monoisotopicmass: 1.74052825E2
label: 3-oxopimelic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_37259
abbrev: FA 7:2;O3

(E)-hex-2-enedioic acid
type: Class
formula: C6H8O4
inchi: InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)/b3-1+
inchikey: HSBSUGYTMJWPAX-HNQUOIGGSA-N
monoisotopicmass: 1.4404226E2
label: 2E-hexenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_49296
abbrev: FA 6:2;O2

3-hydroxy-2E,4E-hexadienedioic acid
type: Class
formula: C6H6O5
inchi: InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3,7H,(H,8,9)(H,10,11)/b2-1-,4-3+
inchikey: DLKZGMNZEDNHKO-BXTBVDPRSA-N
monoisotopicmass: 1.58021525E2
label: 3-hydroxy-cis,cis-muconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_17419
abbrev: FA 6:3;O3

4-carboxy-2-hydroxy-cis,cis-muconic acid
type: Class
formula: C7H6O7
inchi: InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/b3-2+,4-1+
inchikey: QWLUKZXOQAQUFQ-DXLKSGPOSA-N
monoisotopicmass: 2.02011355E2
label: 4-hydroxy-1E,3E-butadiene-1,2,4-tricarboxylic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_17424
abbrev: FA 7:4;O5

(2E,4Z,7S)-7-amino-5-formyl-2-hydroxyocta-2,4-dienedioic acid
type: Class
formula: C9H11NO6
inchi: InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(4-11)1-2-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-2+/t6-/m0/s1
inchikey: OAPFPZKGGMKELA-WEBQFGJISA-N
monoisotopicmass: 2.29058639E2
label: 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_17671

(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid
type: Class
formula: C16H28O7
inchi: InChI=1S/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t12-,16+/m1/s1
inchikey: DQIHPEKINXOMBM-WBMJQRKESA-N
monoisotopicmass: 3.32183506E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_15608
abbrev: FA 16:2;O5

(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid
type: Class
formula: C17H30O7
inchi: InChI=1S/C17H30O7/c1-2-3-4-5-6-7-8-9-10-13(15(20)21)17(24,16(22)23)12-11-14(18)19/h13,24H,2-12H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t13-,17+/m1/s1
inchikey: QFOFNCNFUGQWTO-DYVFJYSZSA-N
monoisotopicmass: 3.46199156E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_15615
abbrev: FA 17:2;O5

2-hydroxy-decanedioic acid
type: Class
formula: C10H18O5
inchi: InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
inchikey: LPIOYESQKJFWPQ-UHFFFAOYSA-N
monoisotopicmass: 2.18115425E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_89312
abbrev: FA 10:1;O3

2Z,4Z-hexadienedioic acid
type: Class
formula: C6H6O4
inchi: InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
inchikey: TXXHDPDFNKHHGW-CCAGOZQPSA-N
monoisotopicmass: 1.4202661E2
label: cis,cis-muconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_16508
abbrev: FA 6:3;O2

4Z-octenedioic acid
type: Class
formula: C8H12O4
inchi: InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1-
inchikey: LQVYKEXVMZXOAH-UPHRSURJSA-N
monoisotopicmass: 1.7207356E2
label: cis-4-octenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_89625
abbrev: FA 8:2;O2

2-methyl-2E-pentenedioic acid
type: Class
formula: C6H8O4
inchi: InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
inchikey: JKGHDBJDBRBRNA-DUXPYHPUSA-N
monoisotopicmass: 1.4404226E2
label: 2E-methyl-glutaconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_165425
abbrev: FA 6:2;O2

2,2-dimethyl-butanedioic acid
type: Class
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
inchikey: GOHPTLYPQCTZSE-UHFFFAOYSA-N
monoisotopicmass: 1.4605791E2
label: 2,2-dimethyl-succinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_86537
abbrev: FA 6:1;O2

2,3-dimethyl-3-hydroxy-glutaric acid
type: Class
formula: C7H12O5
inchi: InChI=1S/C7H12O5/c1-4(6(10)11)7(2,12)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)
inchikey: CCFYMOIEFAALDH-UHFFFAOYSA-N
monoisotopicmass: 1.76068475E2
label: 2,3-dimethyl-3-hydroxy-pentanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_173814
abbrev: FA 7:1;O3

2-amino-2,4-hexadienedioic acid
type: Class
formula: C6H7NO4
inchi: InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/b3-1-,4-2+
inchikey: ZRHONLCTYUYMIQ-HSFFGMMNSA-N
monoisotopicmass: 1.57037509E2
label: 2-amino-muconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_189698

(2S)-2-isopropyl-2-hydroxy-butanedioic acid
type: Class
formula: C7H12O5
inchi: InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1
inchikey: BITYXLXUCSKTJS-ZETCQYMHSA-N
monoisotopicmass: 1.76068475E2
label: 2-isopropyl-malic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_35128
abbrev: FA 7:1;O3

2-methyl-glutaric acid
type: Class
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
inchikey: AQYCMVICBNBXNA-UHFFFAOYSA-N
monoisotopicmass: 1.4605791E2
label: 2-methyl-pentanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_68567
abbrev: FA 6:1;O2

2-octenedioic acid
type: Class
formula: C8H12O4
inchi: InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h3,5H,1-2,4,6H2,(H,9,10)(H,11,12)/b5-3-
inchikey: BNTPVRGYUHJFHN-HYXAFXHYSA-N
monoisotopicmass: 1.7207356E2
label: 2E-octenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 8:2;O2

3,3-dimethyl-glutaric acid
type: Class
formula: C7H12O4
inchi: InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
inchikey: DUHQIGLHYXLKAE-UHFFFAOYSA-N
monoisotopicmass: 1.6007356E2
label: 3,3-dimethyl-pentanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_68502
abbrev: FA 7:1;O2

3-hexenedioic acid
type: Class
formula: C6H8O4
inchi: InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+
inchikey: YHGNXQAFNHCBTK-OWOJBTEDSA-N
monoisotopicmass: 1.4404226E2
label: 3E-hexenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_86952
abbrev: FA 6:2;O2

3-hydroxy-adipic acid
type: Class
formula: C6H10O5
inchi: InChI=1S/C6H10O5/c7-4(3-6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
inchikey: YVOMYDHIQVMMTA-UHFFFAOYSA-N
monoisotopicmass: 1.62052825E2
label: 3-hydroxy-hexanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_89205
abbrev: FA 6:1;O3

3-hydroxy-dodecanedioic acid
type: Class
formula: C12H22O5
inchi: InChI=1S/C12H22O5/c13-10(9-12(16)17)7-5-3-1-2-4-6-8-11(14)15/h10,13H,1-9H2,(H,14,15)(H,16,17)
inchikey: FYVQCLGZFXHEGL-UHFFFAOYSA-N
monoisotopicmass: 2.46146725E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_145961
abbrev: FA 12:1;O3

3-(hydroxy-methyl)-pentanedioic acid
type: Class
formula: C6H10O5
inchi: InChI=1S/C6H10O5/c7-3-4(1-5(8)9)2-6(10)11/h4,7H,1-3H2,(H,8,9)(H,10,11)
inchikey: IEPDKRIDROAXQP-UHFFFAOYSA-N
monoisotopicmass: 1.62052825E2
label: 3-hydroxymethyl-glutaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_138367
abbrev: FA 6:1;O3

3-hydroxy-decanedioic acid
type: Class
formula: C10H18O5
inchi: InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
inchikey: OQYZCCKCJQWHIE-UHFFFAOYSA-N
monoisotopicmass: 2.18115425E2
label: 3-hydroxy-sebacic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_89182
abbrev: FA 10:1;O3

3-hydroxy-octanedioic acid
type: Class
formula: C8H14O5
inchi: InChI=1S/C8H14O5/c9-6(5-8(12)13)3-1-2-4-7(10)11/h6,9H,1-5H2,(H,10,11)(H,12,13)
inchikey: ARJZZFJXSNJKGR-UHFFFAOYSA-N
monoisotopicmass: 1.90084125E2
label: 3-hydroxy-suberic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_70766
abbrev: FA 8:1;O3

3-hydroxy-tetradecanedioic acid
type: Class
formula: C14H26O5
inchi: InChI=1S/C14H26O5/c15-12(11-14(18)19)9-7-5-3-1-2-4-6-8-10-13(16)17/h12,15H,1-11H2,(H,16,17)(H,18,19)
inchikey: CEDZIURHISELSQ-UHFFFAOYSA-N
monoisotopicmass: 2.74178025E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_89276
abbrev: FA 14:1;O3

3-methyl-adipic acid
type: Class
formula: C7H12O4
inchi: InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
inchikey: SYEOWUNSTUDKGM-UHFFFAOYSA-N
monoisotopicmass: 1.6007356E2
label: 3-methyl-hexanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_68503
abbrev: FA 7:1;O2

3-oxo-adipic acid
type: Class
formula: C6H8O5
inchi: InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)
inchikey: RTGHRDFWYQHVFW-UHFFFAOYSA-N
monoisotopicmass: 1.60037175E2
label: 3-oxo-hexanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_37440
abbrev: FA 6:2;O3

2-amino-hexanedioic acid
type: Class
formula: C6H11NO4
inchi: InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
inchikey: OYIFNHCXNCRBQI-UHFFFAOYSA-N
monoisotopicmass: 1.61068809E2
label: Aminoadipic acid
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_37024

2-methyl-2Z-butenedioic acid
type: Class
formula: C5H6O4
inchi: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
inchikey: HNEGQIOMVPPMNR-IHWYPQMZSA-N
monoisotopicmass: 1.3002661E2
label: Citraconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_17626
abbrev: FA 5:2;O2

2,6-diamino-heptanedioic acid
type: Class
formula: C7H14N2O4
inchi: InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
inchikey: GMKMEZVLHJARHF-WHFBIAKZSA-N
monoisotopicmass: 1.90095358E2
label: diamino-pimelic acid
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_57609

2,2-dimethyl-propanedioic acid
type: Class
formula: C5H8O4
inchi: InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
inchikey: OREAFAJWWJHCOT-UHFFFAOYSA-N
monoisotopicmass: 1.3204226E2
label: dimethyl-malonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_111517
abbrev: FA 5:1;O2

2-ethyl-hexanedioic acid
type: Class
formula: C8H14O4
inchi: InChI=1S/C8H14O4/c1-2-6(8(11)12)4-3-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)
inchikey: FANBESOFXBDQSH-UHFFFAOYSA-N
monoisotopicmass: 1.7408921E2
label: Ethyladipic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_173798
abbrev: FA 8:1;O2

2-ethyl-propanedioic acid
type: Class
formula: C5H8O4
inchi: InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
inchikey: UKFXDFUAPNAMPJ-UHFFFAOYSA-N
monoisotopicmass: 1.3204226E2
label: Ethylmalonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_741548
abbrev: FA 5:1;O2

2R,3S,4R,5S-tetrahydroxy-hexanedioic acid
type: Class
formula: C6H10O8
inchi: InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
inchikey: DSLZVSRJTYRBFB-DUHBMQHGSA-N
monoisotopicmass: 2.1003757E2
label: Galactaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_30852
abbrev: FA 6:1;O6

2S,3S,4S,5R-tetrahydroxy-hexanedioic acid
type: Class
formula: C6H10O8
inchi: InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
inchikey: DSLZVSRJTYRBFB-LLEIAEIESA-N
monoisotopicmass: 2.1003757E2
label: Glucaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_16002
abbrev: FA 6:1;O6

2E-pentenedioic acid
type: Class
formula: C5H6O4
inchi: InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
inchikey: XVOUMQNXTGKGMA-OWOJBTEDSA-N
monoisotopicmass: 1.3002661E2
label: Glutaconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_15670
abbrev: FA 5:2;O2

2-imino-butanedioic acid
type: Class
formula: C4H5NO4
inchi: InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9)
inchikey: NMUOATVLLQEYHI-UHFFFAOYSA-N
monoisotopicmass: 1.31021859E2
label: Iminoaspartic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_50616

4,6-dioxo-2Z-octenedioic acid
type: Class
formula: C8H8O6
inchi: InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1-
inchikey: GACSIVHAIFQKTC-UPHRSURJSA-N
monoisotopicmass: 2.0003209E2
label: Maleylacetoacetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_47904
abbrev: FA 8:4;O4

2-methyl-2E-butenedioic acid
type: Class
formula: C5H6O4
inchi: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
inchikey: HNEGQIOMVPPMNR-NSCUHMNNSA-N
monoisotopicmass: 1.3002661E2
label: Mesaconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_16600
abbrev: FA 5:2;O2

3-methyl-pentanedioic acid
type: Class
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
inchikey: XJMMNTGIMDZPMU-UHFFFAOYSA-N
monoisotopicmass: 1.4605791E2
label: Methylglutaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_68566
abbrev: FA 6:1;O2

2-methyl-propanedioic acid
type: Class
formula: C4H6O4
inchi: InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
inchikey: ZIYVHBGGAOATLY-UHFFFAOYSA-N
monoisotopicmass: 1.1802661E2
label: Methylmalonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_30860
abbrev: FA 4:1;O2

2-methyl-butanedioic acid
type: Class
formula: C5H8O4
inchi: InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
inchikey: WXUAQHNMJWJLTG-UHFFFAOYSA-N
monoisotopicmass: 1.3204226E2
label: Methylsuccinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_91315
abbrev: FA 5:1;O2

2-oxo-butanedioic acid
type: Class
formula: C4H4O5
inchi: InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
inchikey: KHPXUQMNIQBQEV-UHFFFAOYSA-N
monoisotopicmass: 1.32005875E2
label: Oxalacetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_30744
abbrev: FA 4:2;O3

2-oxo-hexanedioic acid
type: Class
formula: C6H8O5
inchi: InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
inchikey: FGSBNBBHOZHUBO-UHFFFAOYSA-N
monoisotopicmass: 1.60037175E2
label: Oxoadipic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_15753
abbrev: FA 6:2;O3

2E,4E-hexadienedioic acid
type: Class
formula: C6H6O4
inchi: InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+
inchikey: TXXHDPDFNKHHGW-ZPUQHVIOSA-N
monoisotopicmass: 1.4202661E2
label: trans-trans-muconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_27036
abbrev: FA 6:3;O2

1-nonadecene-2,3R-dicarboxylic acid
type: Class
formula: C21H38O4
inchi: InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h19H,2-17H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1
inchikey: GFBJXFMJWQHQJC-LJQANCHMSA-N
monoisotopicmass: 3.54277011E2
label: Ceriporic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_184466
abbrev: FA 21:2;O2

1-heptadecene-2,3R-dicarboxylic acid
type: Class
formula: C19H34O4
inchi: InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21/h17H,2-15H2,1H3,(H,20,21)(H,22,23)/t17-/m1/s1
inchikey: CJCOOGIIQHVIQI-QGZVFWFLSA-N
monoisotopicmass: 3.26245711E2
label: Ceriporic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_183001
abbrev: FA 19:2;O2

1,10Z-heptadecadiene-2,3R-dicarboxylic acid
type: Class
formula: C21H36O4
inchi: InChI=1S/C21H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h10-11,19H,2-9,12-17H2,1H3,(H,22,23)(H,24,25)/b11-10-/t19-/m1/s1
inchikey: BQGIGMHUCMNPDK-OEIFXAAASA-N
monoisotopicmass: 3.52261361E2
label: Ceriporic acid C
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 21:3;O2

5Z,8Z,11Z-Eicosatrienedioic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1,3,7,9-10,12H,2,4-6,8,11,13-18H2,(H,21,22)(H,23,24)/b3-1-,9-7-,12-10-
inchikey: XXBTWFRPYVFWSA-USRXDSLMSA-N
monoisotopicmass: 3.36230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 20:4;O2

2,6-Dimethyl-1,8-octanedioic acid
type: Class
formula: C10H18O4
inchi: InChI=1S/C10H18O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)
inchikey: YXTSFTNUPXGYDZ-UHFFFAOYSA-N
monoisotopicmass: 2.0212051E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_180323
abbrev: FA 10:1;O2

3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid
type: Class
formula: C12H18O4
inchi: InChI=1S/C12H18O4/c1-9(6-7-11(13)14)4-3-5-10(2)8-12(15)16/h4,8H,3,5-7H2,1-2H3,(H,13,14)(H,15,16)/b9-4+,10-8+
inchikey: DCSNNHVJJADJBX-JKHSSWLHSA-N
monoisotopicmass: 2.2612051E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_186672
abbrev: FA 12:3;O2

3,7-Dimethyl-2E-octene-1,8-dioic acid
type: Class
formula: C10H16O4
inchi: InChI=1S/C10H16O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h6,8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/b7-6+
inchikey: VNSKHKIHRLWODC-VOTSOKGWSA-N
monoisotopicmass: 2.0010486E2
label: Callosobruchusic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_180335
abbrev: FA 10:2;O2

2,6R-Dimethyl-2E-octen-1,8-dioic acid
type: Class
formula: C10H16O4
inchi: InChI=1S/C10H16O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h5,7H,3-4,6H2,1-2H3,(H,11,12)(H,13,14)/b8-5+/t7-/m1/s1
inchikey: KWIQWVWDQRSGSQ-KBUNYLKBSA-N
monoisotopicmass: 2.0010486E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_180336
abbrev: FA 10:2;O2

(Z)-5-oxohex-2-enedioic acid
type: Class
formula: C6H6O5
inchi: InChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1,3H,2H2,(H,8,9)(H,10,11)/b3-1-
inchikey: OOEDHTCVMHDXRH-IWQZZHSRSA-N
monoisotopicmass: 1.58021525E2
label: 5-oxo-2Z-hexenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_32808
abbrev: FA 6:3;O3

2Z-pentenedioic acid
type: Class
formula: C5H6O4
inchi: InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1-
inchikey: XVOUMQNXTGKGMA-UPHRSURJSA-N
monoisotopicmass: 1.3002661E2
label: cis-Glutaconic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_50429
abbrev: FA 5:2;O2

Nonadecandioic acid
type: Class
formula: C19H36O4
inchi: InChI=1S/C19H36O4/c20-18(21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(22)23/h1-17H2,(H,20,21)(H,22,23)
inchikey: IFAWYXIHOVRGHQ-UHFFFAOYSA-N
monoisotopicmass: 3.28261361E2
label: Nonadecane-1,19-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_187096
abbrev: FA 19:1;O2

2-hydroxy-7-methyl-Octanedioic acid
type: Class
formula: C9H16O5
inchi: InChI=1S/C9H16O5/c1-6(8(11)12)4-2-3-5-7(10)9(13)14/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)
inchikey: KQONDWAKSAUKLO-UHFFFAOYSA-N
monoisotopicmass: 2.04099775E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_188376
abbrev: FA 9:1;O3

3Z-dodecene-1,12-dioic acid
type: Class
formula: C12H20O4
inchi: InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h5,7H,1-4,6,8-10H2,(H,13,14)(H,15,16)/b7-5-
inchikey: KOJGUMRURQVAIH-ALCCZGGFSA-N
monoisotopicmass: 2.2813616E2
label: 3Z-dodecenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_187577
abbrev: FA 12:2;O2

2,3-pentadienedioic acid
type: Class
formula: C5H4O4
inchi: InChI=1S/C5H4O4/c6-4(7)2-1-3-5(8)9/h2-3H,(H,6,7)(H,8,9)
inchikey: FEFVVCZNGBRBSB-UHFFFAOYSA-N
monoisotopicmass: 1.2801096E2
label: Glutinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 5:3;O2

10-methoxy-10-oxo-2E-decenoic acid
type: Class
formula: C11H18O4
inchi: InChI=1S/C11H18O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7,9H2,1H3,(H,12,13)/b8-6+
inchikey: PAZIVHODBVDWOT-SOFGYWHQSA-N
monoisotopicmass: 2.1412051E2
label: Pantheric Acid C
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 11:2;O2

2-pentyl-4Z-tridecene-1,13-dioic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-10-13-16(18(21)22)14-11-8-6-4-5-7-9-12-15-17(19)20/h8,11,16H,2-7,9-10,12-15H2,1H3,(H,19,20)(H,21,22)/b11-8-
inchikey: VSFFRENMVBPPTM-FLIBITNWSA-N
monoisotopicmass: 3.12230061E2
label: Graminoxin A1
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 18:2;O2

2-(2Z-octenyl)-decane-1,10-dioic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(18(21)22)14-11-8-6-9-12-15-17(19)20/h7,10,16H,2-6,8-9,11-15H2,1H3,(H,19,20)(H,21,22)/b10-7-
inchikey: QWYXAGPNIVDAAW-YFHOEESVSA-N
monoisotopicmass: 3.12230061E2
label: Graminoxin B1
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 18:2;O2

2-(2Z,5Z-octadienyl)-decane-1,10-dioic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-4-5-7-10-13-16(18(21)22)14-11-8-6-9-12-15-17(19)20/h3-4,7,10,16H,2,5-6,8-9,11-15H2,1H3,(H,19,20)(H,21,22)/b4-3-,10-7-
inchikey: PUZXPFDDSQGSIK-ZJSQCTGTSA-N
monoisotopicmass: 3.10214411E2
label: Graminoxin B2
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 18:3;O2

2-(2Z-pentyl)-4Z-tridecene-1,13-dioic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-10-13-16(18(21)22)14-11-8-6-4-5-7-9-12-15-17(19)20/h3,8,10-11,16H,2,4-7,9,12-15H2,1H3,(H,19,20)(H,21,22)/b10-3-,11-8-
inchikey: HPTKEPUSRQJJPQ-OOHFSOINSA-N
monoisotopicmass: 3.10214411E2
label: Graminoxin A2
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 18:3;O2

2-(2Z-octentyl)-4Z-decene-1,10-dioic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-4-5-7-10-13-16(18(21)22)14-11-8-6-9-12-15-17(19)20/h7-8,10-11,16H,2-6,9,12-15H2,1H3,(H,19,20)(H,21,22)/b10-7-,11-8-
inchikey: SQLYHWIGHMRFBM-DEFDFUCDSA-N
monoisotopicmass: 3.10214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 18:3;O2

(4Z,7R,8E,10E,12Z,14S)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
type: Class
formula: C18H26O6
inchi: InChI=1S/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)/b2-1+,6-3-,9-4+,10-5-/t15-,16+/m0/s1
inchikey: XWRIIHRGMKHPHN-USRRKILKSA-N
monoisotopicmass: 3.3817294E2
label: 18-hydroxy-18-oxo-dinorleukotriene B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_63980
abbrev: FA 18:5;O4

9-hydroxy-3S-methoxycarbonyl-2-methylidenenonanoic acid
type: Class
formula: C12H20O5
inchi: InChI=1S/C12H20O5/c1-9(11(14)15)10(12(16)17-2)7-5-3-4-6-8-13/h10,13H,1,3-8H2,2H3,(H,14,15)/t10-/m0/s1
inchikey: CPKOINXTFBNYMW-JTQLQIEISA-N
monoisotopicmass: 2.44131075E2
label: Asperitaconic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 12:2;O3

9-acetoxy-3S-carboxy-2-methylidenenonanoic acid
type: Class
formula: C13H20O6
inchi: InChI=1S/C13H20O6/c1-9(12(15)16)11(13(17)18)7-5-3-4-6-8-19-10(2)14/h11H,1,3-8H2,2H3,(H,15,16)(H,17,18)/t11-/m0/s1
inchikey: KGTVAJSWHXHSPP-NSHDSACASA-N
monoisotopicmass: 2.7212599E2
label: Asperitaconic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 13:3;O4

8-oxo-3S-carboxy-2-methylidenenonanoic acid
type: Class
formula: C11H16O5
inchi: InChI=1S/C11H16O5/c1-7(12)5-3-4-6-9(11(15)16)8(2)10(13)14/h9H,2-6H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
inchikey: IGSGZWAWTKVRCR-VIFPVBQESA-N
monoisotopicmass: 2.28099775E2
label: Asperitaconic acid C
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 11:3;O3

1-glycero-10-methyl-2E-decenedioate
type: Class
formula: C14H24O6
inchi: InChI=1S/C14H24O6/c1-19-13(17)8-6-4-2-3-5-7-9-14(18)20-11-12(16)10-15/h7,9,12,15-16H,2-6,8,10-11H2,1H3/b9-7+
inchikey: WABSIBOPGQPWRD-VQHVLOKHSA-N
monoisotopicmass: 2.8815729E2
label: Cladosporester C
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 14:2;O4

13,14-dimethyloctacosanedioic acid
type: Class
formula: C30H58O4
inchi: InChI=1S/C30H58O4/c1-27(23-19-15-11-7-4-3-5-9-13-17-21-25-29(31)32)28(2)24-20-16-12-8-6-10-14-18-22-26-30(33)34/h27-28H,3-26H2,1-2H3,(H,31,32)(H,33,34)
inchikey: BWSMSGXFEDFDNR-UHFFFAOYSA-N
monoisotopicmass: 4.82433511E2
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 30:1;O2

9S-(beta-D-glucopyranosyloxy)-4,10R-dimethyl-2E,4E,6E-dodecene-1,12-dioic acid
type: Class
formula: C20H30O10
inchi: InChI=1S/C20H30O10/c1-11(7-8-15(22)23)5-3-4-6-13(12(2)9-16(24)25)29-20-19(28)18(27)17(26)14(10-21)30-20/h3-5,7-8,12-14,17-21,26-28H,6,9-10H2,1-2H3,(H,22,23)(H,24,25)/b4-3+,8-7+,11-5+/t12-,13+,14-,17-,18+,19-,20-/m1/s1
inchikey: ZTPPKAUYDONSLR-AYWFJNOKSA-N
monoisotopicmass: 4.30183901E2
label: Cissoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 20:5;O8

Heptacosane-1,27-dioic acid
type: Class
formula: C27H52O4
inchi: InChI=1S/C27H52O4/c28-26(29)24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27(30)31/h1-25H2,(H,28,29)(H,30,31)
inchikey: JPUCVAQYQIGVSJ-UHFFFAOYSA-N
monoisotopicmass: 4.40386561E2
label: Heptacosanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 27:1;O2

Nonacosane-1,29-dioic acid
type: Class
formula: C29H56O4
inchi: InChI=1S/C29H56O4/c30-28(31)26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(32)33/h1-27H2,(H,30,31)(H,32,33)
inchikey: BHZDBSUDGBEJDI-UHFFFAOYSA-N
monoisotopicmass: 4.68417861E2
label: Nonacosanedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 29:1;O2

2-(8-methoxy-8-oxooctyl)-3-methylenesuccinic acid
type: Class
formula: C14H22O6
inchi: InChI=1S/C14H22O6/c1-10(13(16)17)11(14(18)19)8-6-4-3-5-7-9-12(15)20-2/h11H,1,3-9H2,2H3,(H,16,17)(H,18,19)
inchikey: IOUNJEVHPQCKKE-UHFFFAOYSA-N
monoisotopicmass: 2.8614164E2
label: Tensyuic acid E
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_133831
abbrev: FA 14:3;O4

2-(6-methoxy-6-oxohexyl)-3-methylenesuccinic acid
type: Class
formula: C12H18O6
inchi: InChI=1S/C12H18O6/c1-8(11(14)15)9(12(16)17)6-4-3-5-7-10(13)18-2/h9H,1,3-7H2,2H3,(H,14,15)(H,16,17)
inchikey: ZMTXIFCPSXJBPW-UHFFFAOYSA-N
monoisotopicmass: 2.5811034E2
label: Tensyuic acid B
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_133827
abbrev: FA 12:3;O4

9-methoxy-3-(methoxycarbonyl)-2-methylene-9-oxononanoic acid
type: Class
formula: C13H20O6
inchi: InChI=1S/C13H20O6/c1-9(12(15)16)10(13(17)19-3)7-5-4-6-8-11(14)18-2/h10H,1,4-8H2,2-3H3,(H,15,16)
inchikey: UYOJPIPBTQKANX-UHFFFAOYSA-N
monoisotopicmass: 2.7212599E2
label: Tensyuic acid D
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_133830
abbrev: FA 13:3;O4

2-(6-ethoxy-6-oxohexyl)-3-methylenesuccinic acid
type: Class
formula: C13H20O6
inchi: InChI=1S/C13H20O6/c1-3-19-11(14)8-6-4-5-7-10(13(17)18)9(2)12(15)16/h10H,2-8H2,1H3,(H,15,16)(H,17,18)
inchikey: STUMFFBVBKIJSG-UHFFFAOYSA-N
monoisotopicmass: 2.7212599E2
label: Tensyuic acid C
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_133829
abbrev: FA 13:3;O4

2-(4-ethoxy-4-oxobutyl)-3-methylenesuccinic acid
type: Class
formula: C11H16O6
inchi: InChI=1S/C11H16O6/c1-3-17-9(12)6-4-5-8(11(15)16)7(2)10(13)14/h8H,2-6H2,1H3,(H,13,14)(H,15,16)
inchikey: DFYGVGBRRIMUSH-UHFFFAOYSA-N
monoisotopicmass: 2.4409469E2
label: Tensyuic acid F
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_133828
abbrev: FA 11:3;O4

7-methoxy-3-(methoxycarbonyl)-2-methylene-7-oxoheptanoic acid
type: Class
formula: C11H16O6
inchi: InChI=1S/C11H16O6/c1-7(10(13)14)8(11(15)17-3)5-4-6-9(12)16-2/h8H,1,4-6H2,2-3H3,(H,13,14)
inchikey: MDFIHAYHEBXNCC-UHFFFAOYSA-N
monoisotopicmass: 2.4409469E2
label: Tensyuic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_133826
abbrev: FA 11:3;O4

2E-Octadecene-4-ynedioic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h14,16H,1-9,11,13,15H2,(H,19,20)(H,21,22)/b16-14+
inchikey: PABFFLLJEGWXPY-JQIJEIRASA-N
monoisotopicmass: 3.08198761E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 18:4;O2

2-methylidenehexanedioic acid
type: Class
formula: C7H10O4
inchi: InChI=1S/C7H10O4/c1-5(7(10)11)3-2-4-6(8)9/h1-4H2,(H,8,9)(H,10,11)
inchikey: GQXRTXAQSDUAEY-UHFFFAOYSA-N
monoisotopicmass: 1.5805791E2
label: Pantheric acid G
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 7:2;O2

9-[2-[4-carboxybuta-1E,3E-dienyl]phenyl]nona-2E,4Z,6E,8Z-tetraenoic acid
type: Class
formula: C20H18O4
inchi: InChI=1S/C20H18O4/c21-19(22)15-6-4-2-1-3-5-11-17-12-7-8-13-18(17)14-9-10-16-20(23)24/h1-16H,(H,21,22)(H,23,24)/b3-1+,4-2-,11-5-,14-9+,15-6+,16-10+
inchikey: KHEQKZOGJQXJFQ-JJZKBRRXSA-N
monoisotopicmass: 3.2212051E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 20:11;O2

9-[2-[4-carboxybuta-1E,3E-dienyl]phenyl]nona-2E,4E,6E,8E-tetraenoic acid
type: Class
formula: C20H18O4
inchi: InChI=1S/C20H18O4/c21-19(22)15-6-4-2-1-3-5-11-17-12-7-8-13-18(17)14-9-10-16-20(23)24/h1-16H,(H,21,22)(H,23,24)/b3-1+,4-2+,11-5+,14-9+,15-6+,16-10+
inchikey: KHEQKZOGJQXJFQ-JQIYXNCASA-N
monoisotopicmass: 3.2212051E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
equivalent class: CHEBI_227525
abbrev: FA 20:11;O2

7-[2-[4-carboxybuta-1E,3E-dienyl]phenyl]hepta-2E,4E,6E-trienoic acid
type: Class
formula: C18H16O4
inchi: InChI=1S/C18H16O4/c19-17(20)13-4-2-1-3-9-15-10-5-6-11-16(15)12-7-8-14-18(21)22/h1-14H,(H,19,20)(H,21,22)/b2-1+,9-3+,12-7+,13-4+,14-8+
inchikey: OJMDEDLCJJPJFR-GOZDTWLCSA-N
monoisotopicmass: 2.9610486E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 18:10;O2

7-[2-[4-carboxybuta-1E,3E-dienyl]phenyl]hepta-2E,4E,6Z-trienoic acid
type: Class
formula: C18H16O4
inchi: InChI=1S/C18H16O4/c19-17(20)13-4-2-1-3-9-15-10-5-6-11-16(15)12-7-8-14-18(21)22/h1-14H,(H,19,20)(H,21,22)/b2-1+,9-3-,12-7+,13-4+,14-8+
inchikey: OJMDEDLCJJPJFR-PZYDCVNFSA-N
monoisotopicmass: 2.9610486E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 18:10;O2

Octadeca-6Z,9Z-dienedioic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2,5,7H,3-4,6,8-16H2,(H,19,20)(H,21,22)/b2-1-,7-5-
inchikey: UANZCTRZDQLPDX-PQZOIKATSA-N
monoisotopicmass: 3.10214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10117
abbrev: FA 18:3;O2

9S,10R-epoxy-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m1/s1
inchikey: IMYZYCNQZDBZBQ-SJORKVTESA-N
monoisotopicmass: 2.98250796E2
label: 9S,10R-epoxy-stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_138262
abbrev: FA 18:1;O

9R,10S-epoxy-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m0/s1
inchikey: IMYZYCNQZDBZBQ-DLBZAZTESA-N
monoisotopicmass: 2.98250796E2
label: 9R,10S-epoxy-stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_138260
abbrev: FA 18:1;O

18-hydroxy-9R,10S-epoxy-octadecanoic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)/t16-,17+/m0/s1
inchikey: ITTPZDMHCNGAGQ-DLBZAZTESA-N
monoisotopicmass: 3.14245711E2
label: 18-hydroxy-9R,10S-epoxy-stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_138258
abbrev: FA 18:1;O2

18-hydroxy-9S,10R-epoxy-octadecanoic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)/t16-,17+/m1/s1
inchikey: ITTPZDMHCNGAGQ-SJORKVTESA-N
monoisotopicmass: 3.14245711E2
label: 18-hydroxy-9S,10R-epoxy-stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_138255
abbrev: FA 18:1;O2

18-hydroxy-9S,10R-dihydroxy-octadecanoic acid
type: Class
formula: C18H36O5
inchi: InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)/t16-,17+/m1/s1
inchikey: OISFHODBOQNZAG-SJORKVTESA-N
monoisotopicmass: 3.32256276E2
label: 18-hydroxy-9S,10R-dihydroxy-stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_185073
abbrev: FA 18:0;O3

9R,10S,18-trihydroxy-octadecanoic acid
type: Class
formula: C18H36O5
inchi: InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)/t16-,17+/m0/s1
inchikey: OISFHODBOQNZAG-DLBZAZTESA-N
monoisotopicmass: 3.32256276E2
label: 9R,10S,18-trihydroxy-stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_185070
abbrev: FA 18:0;O3

9R,10S-dihydroxy-octadecanoic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17+/m0/s1
inchikey: VACHUYIREGFMSP-DLBZAZTESA-N
monoisotopicmass: 3.16261361E2
label: 9R,10S-dihydroxy-stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_136767
abbrev: FA 18:0;O2

9S,10R-dihydroxy-octadecanoic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17+/m1/s1
inchikey: VACHUYIREGFMSP-SJORKVTESA-N
monoisotopicmass: 3.16261361E2
label: 9S,10R-dihydroxy-stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_85633
abbrev: FA 18:0;O2

9-hydroxy-10-oxo-12Z-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,17,20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7-
inchikey: KUSHOISAFGTTRU-YFHOEESVSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_189042
abbrev: FA 18:2;O2

10S,11S-epoxy-9S-hydroxy-12Z-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-6-10-13-16-18(22-16)15(19)12-9-7-5-8-11-14-17(20)21/h10,13,15-16,18-19H,2-9,11-12,14H2,1H3,(H,20,21)/b13-10-/t15-,16-,18-/m0/s1
inchikey: NFFSPFJIYOTZQX-ZSNSXZSMSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_176388
abbrev: FA 18:2;O2

9S,10S,11R-trihydroxy-12Z-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h9,12,15-16,18-20,23H,2-8,10-11,13-14H2,1H3,(H,21,22)/b12-9-/t15-,16+,18-/m1/s1
inchikey: JHGVFGJXFVIYSM-BSHMHQBXSA-N
monoisotopicmass: 3.30240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_138082
abbrev: FA 18:1;O3

9S-HpODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+/t17-/m1/s1
inchikey: JGUNZIWGNMQSBM-UINYOVNOSA-N
monoisotopicmass: 3.12230061E2
label: 9S-hydroperoxy-10E,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_34498
equivalent class: SLM_000000934
abbrev: FA 18:2;O2

12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+/t15-,16-,17+/m0/s1
inchikey: WCCLYKMJXGYGEN-SYMVGPSASA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_34148
abbrev: FA 18:2;O2

9,12,13-TriHOME
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m0/s1
inchikey: MDIUMSLCYIJBQC-MVFSOIOZSA-N
monoisotopicmass: 3.30240626E2
label: 9S,12S,13S-trihydroxy-10E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_34506
abbrev: FA 18:1;O3

9,10-EpODE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,13,17H,2-6,8-9,11-12,14-15H2,1H3,(H,19,20)/b10-7-,16-13-/t17-/m0/s1
inchikey: LVVCDOSOKGYQFY-KKJXIILJSA-N
monoisotopicmass: 2.94219496E2
label: 9S,10-epoxy-10,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

13-Oxo-ODE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+
inchikey: JHXAZBBVQSRKJR-BSZOFBHHSA-N
monoisotopicmass: 2.94219496E2
label: 13-keto-9Z,11E-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_68947
equivalent class: SLM_000501294
abbrev: FA 18:3;O

12-oxo-13-hydroxy-9Z-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16,19H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-
inchikey: FRHVCDKYCGTKJM-FLIBITNWSA-N
monoisotopicmass: 3.12230061E2
label: 12-oxo-13-hydroxy-9Z-oleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

9S-HpOTrE
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6-,14-11+/t17-/m1/s1
inchikey: RWKJTIHNYSIIHW-MEBVTJQTSA-N
monoisotopicmass: 3.10214411E2
label: 9S-hydroperoxy-10E,12Z,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_60961
abbrev: FA 18:3;O2

9S-hydroxy-10S,11S-epoxy-12Z,15Z-octadecadienoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-4-6-10-13-16-18(22-16)15(19)12-9-7-5-8-11-14-17(20)21/h3-4,10,13,15-16,18-19H,2,5-9,11-12,14H2,1H3,(H,20,21)/b4-3-,13-10-/t15-,16-,18-/m0/s1
inchikey: OAIJQUCVLFETGX-OYWKBIDZSA-N
monoisotopicmass: 3.10214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_173146
abbrev: FA 18:3;O2

9H-12(13)-EpODE
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h3,7,13-17,19H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-,14-13+/t15-,16-,17+/m0/s1
inchikey: MGYJEJUWQRJNBN-OADLNGDBSA-N
monoisotopicmass: 3.10214411E2
label: 9S-hydroxy-12R,13S-epoxy-10E,15Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165763
abbrev: FA 18:3;O2

9S,10S,11R-trihydroxy-12Z,15Z-octadecadienoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1
inchikey: KFINXCASWPGHEW-YQFBSDGMSA-N
monoisotopicmass: 3.28224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_183609
abbrev: FA 18:2;O3

9S,12S,13S-trihydroxy-10E,15Z-octadecadienoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+/t15-,16-,17-/m0/s1
inchikey: MKYUCBXUUSZMQB-SZTSADAQSA-N
monoisotopicmass: 3.28224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_185202
abbrev: FA 18:2;O3

9S-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1
inchikey: RIGGEAZDTKMXSI-MEBVTJQTSA-N
monoisotopicmass: 2.94219496E2
label: 9S-hydroxy-10E,12Z,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_80447
abbrev: FA 18:3;O

13-keto-9Z,11E,15Z-octadecatrienoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+
inchikey: BNMYUQILBYIYOG-JDTPQGGVSA-N
monoisotopicmass: 2.92203846E2
label: 13-oxo-OTrE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_192930
abbrev: FA 18:4;O

13-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+
inchikey: KLLGGGQNRTVBSU-JDTPQGGVSA-N
monoisotopicmass: 2.94219496E2
label: 13-OH-9Z,11E,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_72641
abbrev: FA 18:3;O

15,16-EHOD
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-16-17(22-16)14-15(19)12-10-8-6-4-3-5-7-9-11-13-18(20)21/h6,8,10,12,15-17,19H,2-5,7,9,11,13-14H2,1H3,(H,20,21)/b8-6-,12-10+
inchikey: OAFZOWOHMXJGNM-DEOFSOSHSA-N
monoisotopicmass: 3.10214411E2
label: 15,16-epoxy-13-hydroxy-9Z,11E-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_197186
abbrev: FA 18:3;O2

2R-HpOTrE
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-10-13-16(19)14-11-8-6-4-5-7-9-12-15-17(23-22)18(20)21/h3,6,8,10,14,17,19,22H,2,4-5,7,9,11-13,15H2,1H3,(H,20,21)/b8-6-,10-3-,16-14+/t17-/m1/s1
inchikey: JFASLUAXMZUDIC-HWVTWIRUSA-N
monoisotopicmass: 3.26209326E2
label: 2R-hydroperoxy-9Z,12Z,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165790
abbrev: FA 18:3;O3

2R-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h3-4,6-7,9-10,17,19H,2,5,8,11-16H2,1H3,(H,20,21)/b4-3-,7-6-,10-9-/t17-/m1/s1
inchikey: JQXGCBKGIBTCHY-KITAFTRQSA-N
monoisotopicmass: 2.94219496E2
label: 2R-hydroxy-9Z,12Z,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_76234
abbrev: FA 18:3;O

13S-HpODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1
inchikey: JDSRHVWSAMTSSN-IRQZEAMPSA-N
monoisotopicmass: 3.12230061E2
label: 13S-hydroperoxy-9Z,11E-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_15655
equivalent class: SLM_000000936
abbrev: FA 18:2;O2

13R-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m1/s1
inchikey: HNICUWMFWZBIFP-PIHGWCCBSA-N
monoisotopicmass: 2.96235146E2
label: 13R-hydroxy-9Z,11E-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_137495
abbrev: FA 18:2;O

9R-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m0/s1
inchikey: NPDSHTNEKLQQIJ-WXUVIADPSA-N
monoisotopicmass: 2.96235146E2
label: 9R-hydroxy-10E,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_78730
equivalent class: SLM_000000958
abbrev: FA 18:2;O

9(10)-EpOME
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-
inchikey: FBUKMFOXMZRGRB-YFHOEESVSA-N
monoisotopicmass: 2.96235146E2
label: 9,10-epoxy-12Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_34494
equivalent class: SLM_000501359
abbrev: FA 18:2;O

(+/-)-12(13)-epoxy-9Z-octadecenoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-
inchikey: CCPPLLJZDQAOHD-FLIBITNWSA-N
monoisotopicmass: 2.96235146E2
label: 12(13)-EpOME
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_38299
equivalent class: SLM_000501361
abbrev: FA 18:2;O

9(10)-epoxy-12Z,15Z-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h3-4,7,10,16-17H,2,5-6,8-9,11-15H2,1H3,(H,19,20)/b4-3-,10-7-
inchikey: JTEGNNHWOIJBJZ-ZJSQCTGTSA-N
monoisotopicmass: 2.94219496E2
label: alpha-9(10)-EpODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_88441
abbrev: FA 18:3;O

12(13)-epoxy-9Z,15Z-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8-
inchikey: BKKGUKSHPCTUGE-OOHFSOINSA-N
monoisotopicmass: 2.94219496E2
label: alpha-12(13)-EpODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_88462
abbrev: FA 18:3;O

15(16)-epoxy-9Z,12Z-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-16-17(21-16)14-12-10-8-6-4-3-5-7-9-11-13-15-18(19)20/h4,6,10,12,16-17H,2-3,5,7-9,11,13-15H2,1H3,(H,19,20)/b6-4-,12-10-
inchikey: HKSDVVJONLXYKL-OHPMOLHNSA-N
monoisotopicmass: 2.94219496E2
label: alpha-15(16)-EpODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_88460
abbrev: FA 18:3;O

6(7)-epoxy-9Z,12Z-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-17(21-16)14-11-12-15-18(19)20/h6-7,9-10,16-17H,2-5,8,11-15H2,1H3,(H,19,20)/b7-6-,10-9-
inchikey: OZPPQSOXVISEGQ-HZJYTTRNSA-N
monoisotopicmass: 2.94219496E2
label: gamma- 6(7)-EpODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165765
abbrev: FA 18:3;O

9(10)-epoxy-6Z,12Z-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7-8,10-11,16-17H,2-6,9,12-15H2,1H3,(H,19,20)/b10-7-,11-8-
inchikey: XGWQFZNNYMWXIK-DEFDFUCDSA-N
monoisotopicmass: 2.94219496E2
label: gamma- 9(10)-EpODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165766
abbrev: FA 18:3;O

12(13)-epoxy-6Z,9Z-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h4-5,8,11,16-17H,2-3,6-7,9-10,12-15H2,1H3,(H,19,20)/b5-4-,11-8-
inchikey: TVHXKPMFCYEQTM-YMVJEYMASA-N
monoisotopicmass: 2.94219496E2
label: gamma- 12(13)-EpODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_188182
abbrev: FA 18:3;O

(+/-)-9,10-dihydroxy-12Z,15Z-octadecadienoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7,10,16-17,19-20H,2,5-6,8-9,11-15H2,1H3,(H,21,22)/b4-3-,10-7-
inchikey: QRHSEDZBZMZPOA-ZJSQCTGTSA-N
monoisotopicmass: 3.12230061E2
label: alpha-9,10-DiHODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_88440
abbrev: FA 18:2;O2

(+/-)-12,13-dihydroxy-9Z,15Z-octadecadienoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h3,8,10-11,16-17,19-20H,2,4-7,9,12-15H2,1H3,(H,21,22)/b10-3-,11-8-
inchikey: RGRKFKRAFZJQMS-OOHFSOINSA-N
monoisotopicmass: 3.12230061E2
label: alpha-12,13-DiHODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_88461
abbrev: FA 18:2;O2

(+/-)-15,16-dihydroxy-9Z,12Z-octadecadienoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h4,6,10,12,16-17,19-20H,2-3,5,7-9,11,13-15H2,1H3,(H,21,22)/b6-4-,12-10-
inchikey: LKLLJYJTYPVCID-OHPMOLHNSA-N
monoisotopicmass: 3.12230061E2
label: alpha-15,16-DiHODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_88465
abbrev: FA 18:2;O2

(+/-)-6,7-dihydroxy-9Z,12Z-octadecadienoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-13-16(19)17(20)14-11-12-15-18(21)22/h6-7,9-10,16-17,19-20H,2-5,8,11-15H2,1H3,(H,21,22)/b7-6-,10-9-
inchikey: WWLGZBGFLYEQFD-HZJYTTRNSA-N
monoisotopicmass: 3.12230061E2
label: gamma- 6,7-DiHODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165756
abbrev: FA 18:2;O2

(+/-)-9,10-dihydroxy-6Z,12Z-octadecadienoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7-8,10-11,16-17,19-20H,2-6,9,12-15H2,1H3,(H,21,22)/b10-7-,11-8-
inchikey: VEKYOUOSZHBYCS-DEFDFUCDSA-N
monoisotopicmass: 3.12230061E2
label: gamma- 9,10-DiHODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165757
abbrev: FA 18:2;O2

(+/-)-12,13-dihydroxy-6Z,9Z-octadecadienoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h4-5,8,11,16-17,19-20H,2-3,6-7,9-10,12-15H2,1H3,(H,21,22)/b5-4-,11-8-
inchikey: RWCLXNAJJGASIW-YMVJEYMASA-N
monoisotopicmass: 3.12230061E2
label: gamma- 12,13-DiHODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165755
abbrev: FA 18:2;O2

13S-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1
inchikey: KLLGGGQNRTVBSU-FQSPHKRJSA-N
monoisotopicmass: 2.94219496E2
label: 13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_84441
abbrev: FA 18:3;O

13S-HpOTrE
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7-,11-3-,15-12+/t17-/m0/s1
inchikey: UYQGVDXDXBAABN-FQSPHKRJSA-N
monoisotopicmass: 3.10214411E2
label: 13S-hydroperoxy-9Z,11E,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_48905
abbrev: FA 18:3;O2

12,13S-EOT
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/b10-3-,11-8-,17-14+/t16-/m0/s1
inchikey: YZBZORUZOSCZRN-DSRRMRMISA-N
monoisotopicmass: 2.92203846E2
label: 12,13S-epoxy-9Z,11,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_180940
abbrev: FA 18:4;O

15R-hydroxy-9Z,12Z-octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1
inchikey: MZQXAWAWDWCIKG-SPSBLGDNSA-N
monoisotopicmass: 2.96235146E2
label: Avenoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165773
abbrev: FA 18:2;O

10-keto-12Z-octadecenoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-
inchikey: IEQLMTRAAYQDSD-FLIBITNWSA-N
monoisotopicmass: 2.96235146E2
label: 10-oxo-12Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_192539
abbrev: FA 18:2;O

2R-hydroxy-9Z-octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17,19H,2-8,11-16H2,1H3,(H,20,21)/b10-9-/t17-/m1/s1
inchikey: JBSOOFITVPOOSY-DOOKAGJSSA-N
monoisotopicmass: 2.98250796E2
label: 2R-hydroxy-oleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179226
abbrev: FA 18:1;O

2R-hydroxy-9Z,12Z-octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)/b7-6-,10-9-/t17-/m1/s1
inchikey: AFDSETGKYZMEEA-SVCKQPKZSA-N
monoisotopicmass: 2.96235146E2
label: 2R-hydroxy-linoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

9-oxo-12,13-dihydroxy-10E,15Z-octadecadienoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-14,16-17,20-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+
inchikey: PLHUEKVESBJIRC-MKZMYESJSA-N
monoisotopicmass: 3.26209326E2
label: 9K,12,13-diHODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_176387
abbrev: FA 18:3;O3

10S-HpOME
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+/t17-/m0/s1
inchikey: HTIQDCPWTUODDW-VMEIHUARSA-N
monoisotopicmass: 3.14245711E2
label: 10S-hydroperoxy-8E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_75831
abbrev: FA 18:1;O2

7S,10S-diHOME
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-8-11-16(19)14-15-17(20)12-9-7-10-13-18(21)22/h14-17,19-20H,2-13H2,1H3,(H,21,22)/b15-14+/t16-,17-/m0/s1
inchikey: IPRLELFMTNDNMN-WLFRDLTRSA-N
monoisotopicmass: 3.14245711E2
label: 7S,10S-dihydroxy-8E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165759
abbrev: FA 18:1;O2

8R-HpOME
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11-/t17-/m0/s1
inchikey: JOACVYKMIMFTFT-IFCKCIONSA-N
monoisotopicmass: 3.14245711E2
label: 8R-hydroperoxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165786
abbrev: FA 18:1;O2

5S,8R-DiHOME
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h9,11,16-17,19-20H,2-8,10,12-15H2,1H3,(H,21,22)/b11-9-/t16-,17-/m0/s1
inchikey: ZAMBNEWCIHMTNZ-FAGFETBGSA-N
monoisotopicmass: 3.14245711E2
label: 5S,8R-dihydroxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165758
abbrev: FA 18:1;O2

8R,11S-DiHOME
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-8-11-16(19)14-15-17(20)12-9-6-7-10-13-18(21)22/h14-17,19-20H,2-13H2,1H3,(H,21,22)/b15-14-/t16-,17+/m0/s1
inchikey: GSDSZZZUMHELIE-RMJCYXJZSA-N
monoisotopicmass: 3.14245711E2
label: 8R,11S-dihydroxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165760
abbrev: FA 18:1;O2

8R,11S-DiHODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-8-11-16(19)14-15-17(20)12-9-6-7-10-13-18(21)22/h8,11,14-17,19-20H,2-7,9-10,12-13H2,1H3,(H,21,22)/b11-8-,15-14-/t16-,17+/m0/s1
inchikey: PIQZTMSSBGKFNU-UZDJSAAESA-N
monoisotopicmass: 3.12230061E2
label: 8R,11S-dihydroxy-9Z,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165753
abbrev: FA 18:2;O2

10R-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11-12,15,17,19H,2-7,9-10,13-14,16H2,1H3,(H,20,21)/b11-8-,15-12+/t17-/m1/s1
inchikey: XUDNDTZOWNNWHA-HLGVZOAESA-N
monoisotopicmass: 2.96235146E2
label: 10R-hydroxy-8E,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165767
abbrev: FA 18:2;O

10S-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11-12,15,17,19H,2-7,9-10,13-14,16H2,1H3,(H,20,21)/b11-8-,15-12+/t17-/m0/s1
inchikey: XUDNDTZOWNNWHA-NDTUJAEZSA-N
monoisotopicmass: 2.96235146E2
label: 10S-hydroxy-8E,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165768
abbrev: FA 18:2;O

11R-HpOME
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11-/t17-/m0/s1
inchikey: WANQBDVIYMNZPQ-IFCKCIONSA-N
monoisotopicmass: 3.14245711E2
label: 11R-hydroperoxy-12Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165784
abbrev: FA 18:1;O2

13R-HpOME(11E)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+/t17-/m1/s1
inchikey: IJZHVZJCTHEXLZ-OKACTXMXSA-N
monoisotopicmass: 3.14245711E2
label: 13R-hydroperoxy-11E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_185632
abbrev: FA 18:1;O2

13S-HpOME(11E)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+/t17-/m0/s1
inchikey: IJZHVZJCTHEXLZ-VMEIHUARSA-N
monoisotopicmass: 3.14245711E2
label: 13S-hydroperoxy-11E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

12R-HpOME(13E)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11+/t17-/m0/s1
inchikey: GGEXMBMLNPHTTK-WKOYGUFESA-N
monoisotopicmass: 3.14245711E2
label: 12R-hydroperoxy-13E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

12S-HpOME(13E)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11+/t17-/m1/s1
inchikey: GGEXMBMLNPHTTK-GWKQRERASA-N
monoisotopicmass: 3.14245711E2
label: 12S-hydroperoxy-13E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

14R-HpOME(12E)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-14-17(22-21)15-12-10-8-6-4-5-7-9-11-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+/t17-/m1/s1
inchikey: HOZXXUCYTNFXGO-OKACTXMXSA-N
monoisotopicmass: 3.14245711E2
label: 14R-hydroperoxy-12E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

14S-HpOME(12E)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-14-17(22-21)15-12-10-8-6-4-5-7-9-11-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+/t17-/m0/s1
inchikey: HOZXXUCYTNFXGO-VMEIHUARSA-N
monoisotopicmass: 3.14245711E2
label: 14S-hydroperoxy-12E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

12R-HpOME(13Z)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11-/t17-/m0/s1
inchikey: GGEXMBMLNPHTTK-IFCKCIONSA-N
monoisotopicmass: 3.14245711E2
label: 12R-hydroperoxy-13Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

12S-HpOME(13Z)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11-/t17-/m1/s1
inchikey: GGEXMBMLNPHTTK-VWILAXROSA-N
monoisotopicmass: 3.14245711E2
label: 12S-hydroperoxy-13Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

10R-HpOME(11Z)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11-/t17-/m0/s1
inchikey: LKIRUSOJIKWGGD-IFCKCIONSA-N
monoisotopicmass: 3.14245711E2
label: 10R-hydroperoxy-11Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

7-HpOME(5E)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-11-14-17(22-21)15-12-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+
inchikey: XBRKDJRIAFDAOR-NTCAYCPXSA-N
monoisotopicmass: 3.14245711E2
label: 7-hydroperoxy-5E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

8-HpOME(6E)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+
inchikey: UAXVXLDKRQZQES-NTCAYCPXSA-N
monoisotopicmass: 3.14245711E2
label: 8-hydroperoxy-6E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

9-HpOME(7E)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+
inchikey: JVDRJMPWJBXKOI-NTCAYCPXSA-N
monoisotopicmass: 3.14245711E2
label: 9-hydroperoxy-7E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

11-HpOME(9Z)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12-
inchikey: WWEFPLFGKQOHPE-QINSGFPZSA-N
monoisotopicmass: 3.14245711E2
label: 11-hydroperoxy9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

12-HpOME(10E)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+
inchikey: HAAMYQJNWSVHGO-NTCAYCPXSA-N
monoisotopicmass: 3.14245711E2
label: 12-hydroperoxy10E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

10R-HOME(11Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11-/t17-/m0/s1
inchikey: VALAUXDVLYFOEG-IFCKCIONSA-N
monoisotopicmass: 2.98250796E2
label: 10R-hydroxy11Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179225
abbrev: FA 18:1;O

10S-HOME(11Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11-/t17-/m1/s1
inchikey: VALAUXDVLYFOEG-VWILAXROSA-N
monoisotopicmass: 2.98250796E2
label: 10S-hydroxy11Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179224
abbrev: FA 18:1;O

12R-HOME(13Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11-/t17-/m0/s1
inchikey: SOMSSWWRWUAFKK-IFCKCIONSA-N
monoisotopicmass: 2.98250796E2
label: 12R-hydroxy13Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179223
abbrev: FA 18:1;O

12S-HOME(13Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11-/t17-/m1/s1
inchikey: SOMSSWWRWUAFKK-VWILAXROSA-N
monoisotopicmass: 2.98250796E2
label: 12S-hydroxy13Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179222
abbrev: FA 18:1;O

11R-HOME(12Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11-/t17-/m0/s1
inchikey: ONAMALXVRDKFRJ-IFCKCIONSA-N
monoisotopicmass: 2.98250796E2
label: 11R-hydroxy12Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179221
abbrev: FA 18:1;O

11S-HOME(12Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11-/t17-/m1/s1
inchikey: ONAMALXVRDKFRJ-VWILAXROSA-N
monoisotopicmass: 2.98250796E2
label: 11S-hydroxy12Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179220
abbrev: FA 18:1;O

12R-HOME(10E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m1/s1
inchikey: KQSRBPJISPYLOS-OKACTXMXSA-N
monoisotopicmass: 2.98250796E2
label: 12R-hydroxy10E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179219
abbrev: FA 18:1;O

12S-HOME(10E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m0/s1
inchikey: KQSRBPJISPYLOS-VMEIHUARSA-N
monoisotopicmass: 2.98250796E2
label: 12S-hydroxy10E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179218
abbrev: FA 18:1;O

12R-HOME(13E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+/t17-/m0/s1
inchikey: SOMSSWWRWUAFKK-WKOYGUFESA-N
monoisotopicmass: 2.98250796E2
label: 12R-hydroxy13E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179217
abbrev: FA 18:1;O

12S-HOME(13E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+/t17-/m1/s1
inchikey: SOMSSWWRWUAFKK-GWKQRERASA-N
monoisotopicmass: 2.98250796E2
label: 12S-hydroxy13E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179216
abbrev: FA 18:1;O

13R-HOME(11E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m1/s1
inchikey: KGXOGOBIBIIEAW-OKACTXMXSA-N
monoisotopicmass: 2.98250796E2
label: 13R-hydroxy11E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179215
abbrev: FA 18:1;O

13S-HOME(11E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m0/s1
inchikey: KGXOGOBIBIIEAW-VMEIHUARSA-N
monoisotopicmass: 2.98250796E2
label: 13S-hydroxy11E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179214
abbrev: FA 18:1;O

11R-HOME(12E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+/t17-/m0/s1
inchikey: ONAMALXVRDKFRJ-WKOYGUFESA-N
monoisotopicmass: 2.98250796E2
label: 11R-hydroxy12E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179213
abbrev: FA 18:1;O

11S-HOME(12E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+/t17-/m1/s1
inchikey: ONAMALXVRDKFRJ-GWKQRERASA-N
monoisotopicmass: 2.98250796E2
label: 11S-hydroxy12E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179212
abbrev: FA 18:1;O

6-HpOME(7E)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-14-17(22-21)15-12-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11+
inchikey: IHMXSWBYDAJWDE-SDNWHVSQSA-N
monoisotopicmass: 3.14245711E2
label: 6-hydroperoxy-7E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

13-HpOME(14E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+
inchikey: GRHSBDWMCPHRGO-SDNWHVSQSA-N
monoisotopicmass: 2.98250796E2
label: 13-hydroperoxy-14E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_177959
abbrev: FA 18:1;O

9-hydroperoxy-9E,11E-octadecadienoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7+,15-12+
inchikey: JDSRHVWSAMTSSN-KDFHGORWSA-N
monoisotopicmass: 3.12230061E2
label: E,E-13-HpODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165781
equivalent class: SLM_000501147
abbrev: FA 18:2;O2

9-hydroperoxy-10E,12E-octadecadienoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6+,14-11+
inchikey: JGUNZIWGNMQSBM-SIGMCMEVSA-N
monoisotopicmass: 3.12230061E2
label: E,E-9-HpODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165782
abbrev: FA 18:2;O2

10-HpODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b11-8-,15-12+
inchikey: YONQBPOWOZLKHS-UEAALKJISA-N
monoisotopicmass: 3.12230061E2
label: 10-hydroperoxy-8E,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_64008
abbrev: FA 18:2;O2

12-HpODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h9,11-12,14,17,21H,2-8,10,13,15-16H2,1H3,(H,19,20)/b12-9-,14-11+
inchikey: SYVVYQKENYQBSX-MMFCQQQJSA-N
monoisotopicmass: 3.12230061E2
label: 12-hydroperoxy-9Z,13E-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165779
abbrev: FA 18:2;O2

8-HpODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/b7-6+,14-11+
inchikey: RGJSGXNKRWWCOQ-WXGDJGGUSA-N
monoisotopicmass: 3.12230061E2
label: 8-hydroperoxy-9,12-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

14-HpODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-14-17(22-21)15-12-10-8-6-4-5-7-9-11-13-16-18(19)20/h6,8,12,15,17,21H,2-5,7,9-11,13-14,16H2,1H3,(H,19,20)/b8-6+,15-12+
inchikey: UNIRNFOYQCHZDZ-QWPOMPHKSA-N
monoisotopicmass: 3.12230061E2
label: 14-hydroperoxy-9,12-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165780
abbrev: FA 18:2;O2

9-hydroperoxy-12,13-epoxy-10-octadecenoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-7-11-16-17(22-16)14-13-15(23-21)10-8-5-4-6-9-12-18(19)20/h13-17,21H,2-12H2,1H3,(H,19,20)/b14-13+
inchikey: SZMWZFAMDRNPCL-BUHFOSPRSA-N
monoisotopicmass: 3.28224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_138081
abbrev: FA 18:2;O3

11-hydroperoxy-12,13-epoxy-9-octadecenoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-9-12-15-18(22-15)16(23-21)13-10-7-5-4-6-8-11-14-17(19)20/h10,13,15-16,18,21H,2-9,11-12,14H2,1H3,(H,19,20)/b13-10+
inchikey: LSLYTZURYMOJBX-JLHYYAGUSA-N
monoisotopicmass: 3.28224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_168840
abbrev: FA 18:2;O3

9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid
type: Class
formula: C18H34O6
inchi: InChI=1S/C18H34O6/c1-2-3-7-11-16(19)17(20)14-13-15(24-23)10-8-5-4-6-9-12-18(21)22/h13-17,19-20,23H,2-12H2,1H3,(H,21,22)/b14-13+
inchikey: XKOSMZYONOMNMT-BUHFOSPRSA-N
monoisotopicmass: 3.46235541E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_184863
abbrev: FA 18:1;O4

9-HpOTrE
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6+,14-11+
inchikey: RWKJTIHNYSIIHW-UNAQAUQESA-N
monoisotopicmass: 3.10214411E2
label: 9-hydroperoxy-10E,12,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165791
abbrev: FA 18:3;O2

12-HpOTrE
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)/b4-3+,12-9-,14-11+
inchikey: FLJRXICXLUZYBE-SFDMDFOLSA-N
monoisotopicmass: 3.10214411E2
label: 12-hydroperoxy-9Z,13E,15-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165787
abbrev: FA 18:3;O2

13-HpOTrE
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7+,11-3-,15-12+
inchikey: UYQGVDXDXBAABN-SKEAHQKTSA-N
monoisotopicmass: 3.10214411E2
label: 13-hydroperoxy-9,11E,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_183350
abbrev: FA 18:3;O2

16-HpOTrE
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)/b5-3-,11-9+,15-13+
inchikey: RKSYUYCKHRVFNL-HSZHZUSHSA-N
monoisotopicmass: 3.10214411E2
label: 16-hydroperoxy-9Z,12,14E-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165789
abbrev: FA 18:3;O2

13S-HpOTrE(gamma)
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h4,6-7,9,12,15,17,21H,2-3,5,8,10-11,13-14,16H2,1H3,(H,19,20)/b6-4-,9-7-,15-12+
inchikey: LYFGXCQTRBQQMX-YSHIPJNPSA-N
monoisotopicmass: 3.10214411E2
label: 13S-hydroperoxy-6Z,9Z,11E-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165788
abbrev: FA 18:3;O2

8R-HpODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/b7-6-,14-11-/t17-/m0/s1
inchikey: RGJSGXNKRWWCOQ-QMEIEYGNSA-N
monoisotopicmass: 3.12230061E2
label: 8R-hydroperoxy-9Z,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_34485
abbrev: FA 18:2;O2

13S-HpOTrE
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,11-12,14-15,17,21H,2-6,8,10,13,16H2,1H3,(H,19,20)/b9-7-,14-11-,15-12+/t17-/m0/s1
inchikey: UKAYSZOBJMGOTG-NVZNDERGSA-N
monoisotopicmass: 3.10214411E2
label: 13S-hydroperoxy-9Z,11E,14Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_136803
abbrev: FA 18:3;O2

11S-HpODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/b14-11-,15-12-/t17-/m0/s1
inchikey: PLWDMWAXENHPLY-PDBSFCERSA-N
monoisotopicmass: 3.12230061E2
label: 11S-hydroperoxy-9Z,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_15657
abbrev: FA 18:2;O2

11-HpOME
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11-
inchikey: WANQBDVIYMNZPQ-KAMYIIQDSA-N
monoisotopicmass: 3.14245711E2
label: 11-hydroperoxy-12Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165783
abbrev: FA 18:1;O2

9-HpOME
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11+
inchikey: DIKRZYGTMAMIKZ-SDNWHVSQSA-N
monoisotopicmass: 3.14245711E2
label: 9-hydroperoxy-10E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_85587
equivalent class: SLM_000501345
abbrev: FA 18:1;O2

8-HpOME
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11-
inchikey: JOACVYKMIMFTFT-KAMYIIQDSA-N
monoisotopicmass: 3.14245711E2
label: 8-hydroperoxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165785
abbrev: FA 18:1;O2

10-HpOME
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+
inchikey: HTIQDCPWTUODDW-NTCAYCPXSA-N
monoisotopicmass: 3.14245711E2
label: 10-hydroperoxy-8E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_85589
equivalent class: SLM_000389542
abbrev: FA 18:1;O2

2-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: KIHBGTRZFAVZRV-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: DL-2-hydroxy stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_19660
equivalent class: SLM_000000831
abbrev: FA 18:0;O

3-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: POMQYTSPMKEQNB-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: DL-3-hydroxy stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_50578
equivalent class: SLM_000000823
abbrev: FA 18:0;O

4-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: VSRRGPPFTIJBJG-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: DL-4-hydroxy stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_188005
abbrev: FA 18:0;O

5-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: YTITYUDOZJUZBE-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: DL-5-hydroxy stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_136819
abbrev: FA 18:0;O

6-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: LXKCZUOSRQSRHW-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: DL-6-hydroxy stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:0;O

7-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-11-14-17(19)15-12-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: AROVHWXXFTUQIL-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: DL-7-hydroxy stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:0;O

8-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: YYWHSFVJGXJTKD-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: DL-8-hydroxy stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:0;O

9-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: RKHXDCVAPIMDMG-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: DL-9-hydroxy stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_136638
abbrev: FA 18:0;O

10-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: PAZZVPKITDJCPV-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: Rosilic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_143095
abbrev: FA 18:0;O

11-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: CJUFNCPPYUSJPR-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: DL-11-hydroxy stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165793
abbrev: FA 18:0;O

12-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: ULQISTXYYBZJSJ-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: DL-12-hydroxy stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_85208
equivalent class: SLM_000390154
abbrev: FA 18:0;O

13-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: MRWKWISFCDSNQN-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: DL-13-hydroxy stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_136406
abbrev: FA 18:0;O

14-hydroxy stearic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-14-17(19)15-12-10-8-6-4-5-7-9-11-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: LEKAIGKHNJSDAH-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: 14-hydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:0;O

15-hydroxy stearic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: BKVAAWMQOQLENB-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: 15-hydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_177108
abbrev: FA 18:0;O

16-hydroxy stearic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: IZAIPALZJVSRHT-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: 16-hydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_188380
abbrev: FA 18:0;O

17-hydroxy stearic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
inchikey: CKGPXFKOAGKQDN-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: 17-hydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_168647
abbrev: FA 18:0;O

18-hydroxy stearic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h19H,1-17H2,(H,20,21)
inchikey: VLHZUYUOEGBBJB-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
label: 18-hydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_79182
abbrev: FA 18:0;O

2,3-dihydroxy stearic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: UAZFXPRZXKJSFJ-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
label: 2,3-dihydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_188217
abbrev: FA 18:0;O2

5,6-dihydroxy stearic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(19)17(20)14-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: VAAGTTZMSIIGFU-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
label: 5,6-dihydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_187949
abbrev: FA 18:0;O2

6,7-dihydroxy stearic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-13-16(19)17(20)14-11-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: HAJRXPMGHGMWRY-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
label: 6,7-dihydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:0;O2

7,8-dihydroxy stearic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: AZZCJRLYIUPWQJ-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
label: 7,8-dihydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165798
abbrev: FA 18:0;O2

8,9-dihydroxy stearic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: JIUABTQMUFTVLS-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
label: 8,9-dihydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:0;O2

9,10-dihydroxy-octadecanoic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: VACHUYIREGFMSP-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
label: 9,10-dihydroxystearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_28724
equivalent class: SLM_000501371
abbrev: FA 18:0;O2

9,12-dihydroxy stearic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-8-11-16(19)14-15-17(20)12-9-6-5-7-10-13-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: CJKWEXKSSFUTCE-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
label: 9,12-dihydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_185269
abbrev: FA 18:0;O2

10,11-dihydroxy stearic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-7-10-13-16(19)17(20)14-11-8-5-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: YJVZPARIUKDPFS-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
label: 10,11-dihydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_182995
abbrev: FA 18:0;O2

11,12-dihydroxy stearic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-10-13-16(19)17(20)14-11-8-6-5-7-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: BXMZIUSKYCZVAK-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
label: 11,12-dihydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:0;O2

12,13-dihydroxy stearic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: PEUSBAXOWSDDBR-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
label: 12,13-dihydroxy-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_186713
abbrev: FA 18:0;O2

9,10,18-trihydroxy-octadecanoic acid
type: Class
formula: C18H36O5
inchi: InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)
inchikey: OISFHODBOQNZAG-UHFFFAOYSA-N
monoisotopicmass: 3.32256276E2
label: Phloionolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_133325
abbrev: FA 18:0;O3

9,10,12,13-tetrahydroxy-octadecanoic acid
type: Class
formula: C18H36O6
inchi: InChI=1S/C18H36O6/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17,19-22H,2-13H2,1H3,(H,23,24)
inchikey: VJOGZGLNDROOFS-UHFFFAOYSA-N
monoisotopicmass: 3.48251191E2
label: Sativic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_138499
abbrev: FA 18:0;O4

9-hydroxy-12Z-octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,17,19H,2-5,7,9-16H2,1H3,(H,20,21)/b8-6-
inchikey: BNZYDQIAPCVNAT-VURMDHGXSA-N
monoisotopicmass: 2.98250796E2
label: Isoricinoleic Acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165774
abbrev: FA 18:1;O

12-hydroxy-9E-octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+
inchikey: WBHHMMIMDMUBKC-FMIVXFBMSA-N
monoisotopicmass: 2.98250796E2
label: Ricinelaidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_85641
equivalent class: SLM_000390173
abbrev: FA 18:1;O

9-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+
inchikey: NPDSHTNEKLQQIJ-ZJHFMPGASA-N
monoisotopicmass: 2.96235146E2
label: 9-hydroxy-10E,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_68946
abbrev: FA 18:2;O

9-hydroxy-10E,12E-octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+
inchikey: NPDSHTNEKLQQIJ-SIGMCMEVSA-N
monoisotopicmass: 2.96235146E2
label: Dimorphecolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

12-hydroxy-9Z,15Z-octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,12,17,19H,2,5-8,10-11,13-16H2,1H3,(H,20,21)/b4-3-,12-9-
inchikey: OKIDIWHWTIMACU-UYOLCUGSSA-N
monoisotopicmass: 2.96235146E2
label: Densipolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

13-hydroxy-9Z,11E-octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+
inchikey: HNICUWMFWZBIFP-BSZOFBHHSA-N
monoisotopicmass: 2.96235146E2
label: Coriolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_72639
abbrev: FA 18:2;O

13-hydroxy-9E,11E-octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12+
inchikey: HNICUWMFWZBIFP-KDFHGORWSA-N
monoisotopicmass: 2.96235146E2
label: alpha-artemisic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165772
abbrev: FA 18:2;O

18-hydroxy-9Z,11E,13E-octadecatrienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)/b2-1-,5-3+,9-7+
inchikey: YPHQMIRXEFDOQM-ALXQIFAGSA-N
monoisotopicmass: 2.94219496E2
label: alpha-kamlolenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_186633
abbrev: FA 18:3;O

18-hydroxy-9E,11E,13E-octadecatrienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)/b2-1+,5-3+,9-7+
inchikey: YPHQMIRXEFDOQM-KERFEQBRSA-N
monoisotopicmass: 2.94219496E2
label: beta-kamlolenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_187071
abbrev: FA 18:3;O

9-hydroxy-12,13-epoxy-10-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+
inchikey: WCCLYKMJXGYGEN-BUHFOSPRSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

12,13-epoxy-11-hydroxy-9-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,15-16,18-19H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10+
inchikey: UZCLYICSWADYGM-ZRDIBKRKSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid
type: Class
formula: C18H34O6
inchi: InChI=1S/C18H34O6/c1-2-3-7-10-15(24-23)13-14-17(20)16(19)11-8-5-4-6-9-12-18(21)22/h13-17,19-20,23H,2-12H2,1H3,(H,21,22)/b14-13+
inchikey: OMGHMRGMXCUWQA-BUHFOSPRSA-N
monoisotopicmass: 3.46235541E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_168173
abbrev: FA 18:1;O4

9,10-DiHOME(12)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7+
inchikey: XEBKSQSGNGRGDW-JXMROGBWSA-N
monoisotopicmass: 3.14245711E2
label: 9,10-dihydroxy-12-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_190147
abbrev: FA 18:1;O2

9,13-DiHOME(10)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-7-11-16(19)13-10-14-17(20)12-8-5-4-6-9-15-18(21)22/h10,14,16-17,19-20H,2-9,11-13,15H2,1H3,(H,21,22)/b14-10+
inchikey: DDPRXLNAFJOREO-GXDHUFHOSA-N
monoisotopicmass: 3.14245711E2
label: 9,13-dihydroxy-10-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_193360
abbrev: FA 18:1;O2

9,13-DiHOME(11)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-7-11-16(19)13-10-14-17(20)12-8-5-4-6-9-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10+
inchikey: GPZTWISIZJCSHZ-JLHYYAGUSA-N
monoisotopicmass: 3.14245711E2
label: 9,13-dihydroxy-11-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165761
abbrev: FA 18:1;O2

12,13-DiHOME(9)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8+
inchikey: CQSLTKIXAJTQGA-DHZHZOJOSA-N
monoisotopicmass: 3.14245711E2
label: 12,13-dihydroxy-9-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

11,12,13-TriHOME
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-9-12-15(19)18(23)16(20)13-10-7-5-4-6-8-11-14-17(21)22/h10,13,15-16,18-20,23H,2-9,11-12,14H2,1H3,(H,21,22)/b13-10+
inchikey: WWLVUQOGFYZQHT-JLHYYAGUSA-N
monoisotopicmass: 3.30240626E2
label: 11,12,13-trihydroxy-9-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165804
abbrev: FA 18:1;O3

8,13-DiHODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-6-11-16(19)13-9-10-14-17(20)12-7-4-5-8-15-18(21)22/h9-10,13-14,16-17,19-20H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+
inchikey: HIEIDLBUOKMENO-UTLPMFLDSA-N
monoisotopicmass: 3.12230061E2
label: 8,13-dihydroxy-9,11-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165752
abbrev: FA 18:2;O2

9,14-DiHODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-11-16(19)13-9-10-14-17(20)12-7-5-4-6-8-15-18(21)22/h9-10,13-14,16-17,19-20H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+
inchikey: NYDHMIHPIKWYLF-UTLPMFLDSA-N
monoisotopicmass: 3.12230061E2
label: 9,14-dihydroxy-10,12-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165754
abbrev: FA 18:2;O2

9,10,13-TriHOME(11)
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+
inchikey: NTVFQBIHLSPEGQ-BUHFOSPRSA-N
monoisotopicmass: 3.30240626E2
label: 9,10,13-trihydroxy-11-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_34499
abbrev: FA 18:1;O3

9,12,13-TriHOME(10)
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+
inchikey: MDIUMSLCYIJBQC-BUHFOSPRSA-N
monoisotopicmass: 3.30240626E2
label: 9,12,13-trihydroxy-10-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9-hydroxy-10-oxo-12-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,17,20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7+
inchikey: KUSHOISAFGTTRU-JXMROGBWSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_143972
abbrev: FA 18:2;O2

9-hydroxy-12-oxo-10-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-8-11-16(19)14-15-17(20)12-9-6-5-7-10-13-18(21)22/h14-15,17,20H,2-13H2,1H3,(H,21,22)/b15-14+
inchikey: YTQIAEGEKPKZHB-CCEZHUSRSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165802
abbrev: FA 18:2;O2

9-hydroxy-13-oxo-10-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-7-11-16(19)13-10-14-17(20)12-8-5-4-6-9-15-18(21)22/h10,14,17,20H,2-9,11-13,15H2,1H3,(H,21,22)/b14-10+
inchikey: HOWCTVFHRUJMDQ-GXDHUFHOSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

13S-HOTrE(gamma)
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h4,6-7,9,12,15,17,19H,2-3,5,8,10-11,13-14,16H2,1H3,(H,20,21)/b6-4-,9-7-,15-12+/t17-/m0/s1
inchikey: HNBLUNXZQNJFRB-KYLWABQHSA-N
monoisotopicmass: 2.94219496E2
label: 13S-hydroxy-6Z,9Z,11E-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165777
abbrev: FA 18:3;O

15,16-dihydroxy-octadecanoic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: LSFLNLHTOKKPHT-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_192106
abbrev: FA 18:0;O2

4,14-dihydroxy-octadecanoic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-11-16(19)12-9-7-5-4-6-8-10-13-17(20)14-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: MLYHYWRMEKZFCF-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_197130
abbrev: FA 18:0;O2

9,14-dihydroxy-octadecanoic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-11-16(19)13-9-10-14-17(20)12-7-5-4-6-8-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: UHSVJNCEYVVOCB-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_185540
abbrev: FA 18:0;O2

12-HOME(10E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+
inchikey: KQSRBPJISPYLOS-NTCAYCPXSA-N
monoisotopicmass: 2.98250796E2
label: 12-hydroxy-10E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179209
abbrev: FA 18:1;O

9-HOME(10Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11-
inchikey: UYTAXAWTQDKVBD-KAMYIIQDSA-N
monoisotopicmass: 2.98250796E2
label: 9-hydroxy-10Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179211
abbrev: FA 18:1;O

9-HOME(12)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,17,19H,2-5,7,9-16H2,1H3,(H,20,21)/b8-6+
inchikey: BNZYDQIAPCVNAT-SOFGYWHQSA-N
monoisotopicmass: 2.98250796E2
label: 9-hydroxy-12-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179210
abbrev: FA 18:1;O

17-HOME(9Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,17,19H,4-16H2,1H3,(H,20,21)/b3-2-
inchikey: UMIZOHMCQYCZRX-IHWYPQMZSA-N
monoisotopicmass: 2.98250796E2
label: 17-hydroxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_144923
abbrev: FA 18:1;O

18-HOME(9Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,19H,3-17H2,(H,20,21)/b2-1-
inchikey: LQUHZVLTTWMBTO-UPHRSURJSA-N
monoisotopicmass: 2.98250796E2
label: 18-hydroxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_79312
equivalent class: SLM_000389679
abbrev: FA 18:1;O

6-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)/b7-6-,10-9-
inchikey: PQSDHPDBFBVDTD-HZJYTTRNSA-N
monoisotopicmass: 2.96235146E2
label: 6-hydroxy-9Z,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165770
abbrev: FA 18:2;O

2-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h3-4,6-7,9-10,17,19H,2,5,8,11-16H2,1H3,(H,20,21)/b4-3-,7-6-,10-9-
inchikey: JQXGCBKGIBTCHY-PDBXOOCHSA-N
monoisotopicmass: 2.94219496E2
label: 2-hydroxy-9Z,12Z,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165778
abbrev: FA 18:3;O

12R-hydroxy-9Z-octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1
inchikey: WBHHMMIMDMUBKC-QJWNTBNXSA-N
monoisotopicmass: 2.98250796E2
label: Ricinoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_28592
equivalent class: SLM_000501246
abbrev: FA 18:1;O

3-hydroxy-16-methyl-heptadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-17(19)15-18(20)21/h16-17,19H,3-15H2,1-2H3,(H,20,21)
inchikey: GWLJUAYGDYEJLV-UHFFFAOYSA-N
monoisotopicmass: 3.00266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:0;O

8-hydroxy-13,17-octadecadiene-9,11-diynoic acid
type: Class
formula: C18H24O3
inchi: InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,5-6,17,19H,1,3-4,9-10,12-13,15-16H2,(H,20,21)/b6-5-
inchikey: HXOKXQYTUYIBDT-WAYWQWQTSA-N
monoisotopicmass: 2.88172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_197112
abbrev: FA 18:6;O

9S-hydroxy-10E,12E-octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+/t17-/m1/s1
inchikey: NPDSHTNEKLQQIJ-RUDINFOGSA-N
monoisotopicmass: 2.96235146E2
label: beta-Dimorphecolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_190309
abbrev: FA 18:2;O

9S-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1
inchikey: NPDSHTNEKLQQIJ-UINYOVNOSA-N
monoisotopicmass: 2.96235146E2
label: 9S-hydroxy-10E,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_34496
abbrev: FA 18:2;O

12R-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,12,17,19H,2,5-8,10-11,13-16H2,1H3,(H,20,21)/b4-3-,12-9-/t17-/m1/s1
inchikey: OKIDIWHWTIMACU-MNEPGTOVSA-N
monoisotopicmass: 2.96235146E2
label: 12R-hydroxy-9Z,15Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165769
abbrev: FA 18:2;O

13R-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12-/t17-/m1/s1
inchikey: HNICUWMFWZBIFP-PXBBSODISA-N
monoisotopicmass: 2.96235146E2
label: 13R-hydroxy-9E,11Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

(-)-8-hydroxy-11E,17-octadecadien-9-ynoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,7-8,17,19H,1,3-6,9-10,12-13,15-16H2,(H,20,21)/b8-7+
inchikey: KICRKYKTMPUVKC-BQYQJAHWSA-N
monoisotopicmass: 2.92203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_183626
abbrev: FA 18:4;O

9-hydroxy-10E,14Z-octadecadien-12-ynoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h4-5,11,14,17,19H,2-3,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b5-4-,14-11+
inchikey: DFVZVNJGUDAZDP-UZWKOAOVSA-N
monoisotopicmass: 2.92203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_187091
abbrev: FA 18:4;O

8-hydroxy-9,11-octadecadiynoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h17,19H,2-6,9-10,12-13,15-16H2,1H3,(H,20,21)
inchikey: PAJZUMALTGAWTA-UHFFFAOYSA-N
monoisotopicmass: 2.92203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165800
abbrev: FA 18:4;O

8-hydroxy-10,12-octadecadiynoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h17,19H,2-5,9-10,12-16H2,1H3,(H,20,21)
inchikey: BEXXCDTWFLMRDJ-UHFFFAOYSA-N
monoisotopicmass: 2.92203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_197132
abbrev: FA 18:4;O

2R-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
inchikey: KIHBGTRZFAVZRV-QGZVFWFLSA-N
monoisotopicmass: 3.00266446E2
label: 2R-hydroxy-stearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_15913
abbrev: FA 18:0;O

3R-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
inchikey: POMQYTSPMKEQNB-QGZVFWFLSA-N
monoisotopicmass: 3.00266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_145205
abbrev: FA 18:0;O

9R-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
inchikey: RKHXDCVAPIMDMG-QGZVFWFLSA-N
monoisotopicmass: 3.00266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:0;O

9S-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1
inchikey: RKHXDCVAPIMDMG-KRWDZBQOSA-N
monoisotopicmass: 3.00266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:0;O

8-hydroxy-13Z-octadecene-9,11-diynoic acid
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h5-6,17,19H,2-4,9-10,12-13,15-16H2,1H3,(H,20,21)/b6-5-
inchikey: BFYLXOBBDBQUMB-WAYWQWQTSA-N
monoisotopicmass: 2.90188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_73751
abbrev: FA 18:5;O

8-hydroxy-17-octadecene-9,11-diynoic acid
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,17,19H,1,3-6,9-10,12-13,15-16H2,(H,20,21)
inchikey: KWLVIGJGNBJKPA-UHFFFAOYSA-N
monoisotopicmass: 2.90188195E2
label: Isanolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_173157
abbrev: FA 18:5;O

8-hydroxy-17-octadecene-10,12-diynoic acid
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,17,19H,1,3-5,9-10,12-16H2,(H,20,21)
inchikey: MKFHJJAOYAVQNC-UHFFFAOYSA-N
monoisotopicmass: 2.90188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_190368
abbrev: FA 18:5;O

5-HOME(2)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h13,16-17,19H,2-12,14-15H2,1H3,(H,20,21)/b16-13+
inchikey: VXSVRGKQXAZESE-DTQAZKPQSA-N
monoisotopicmass: 2.98250796E2
label: 5-hydroxy-2-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179242
abbrev: FA 18:1;O

8-HOME(9)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+
inchikey: JEXIZLHRWZNJIX-SDNWHVSQSA-N
monoisotopicmass: 2.98250796E2
label: 8-hydroxy-9-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179241
abbrev: FA 18:1;O

8R-HOME(9Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11-/t17-/m0/s1
inchikey: JEXIZLHRWZNJIX-IFCKCIONSA-N
monoisotopicmass: 2.98250796E2
label: 8R-hydroxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179240
abbrev: FA 18:1;O

9R-HOME(10E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+/t17-/m0/s1
inchikey: UYTAXAWTQDKVBD-WKOYGUFESA-N
monoisotopicmass: 2.98250796E2
label: 9R-hydroxy-10E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165775
abbrev: FA 18:1;O

9-HOME(10E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+
inchikey: UYTAXAWTQDKVBD-SDNWHVSQSA-N
monoisotopicmass: 2.98250796E2
label: 9-hydroxy-10E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179239
abbrev: FA 18:1;O

9R-HOME(12E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,17,19H,2-5,7,9-16H2,1H3,(H,20,21)/b8-6+/t17-/m0/s1
inchikey: BNZYDQIAPCVNAT-JKNJVXJCSA-N
monoisotopicmass: 2.98250796E2
label: 9R-hydroxy-12E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165776
abbrev: FA 18:1;O

9R-HOME(12Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,17,19H,2-5,7,9-16H2,1H3,(H,20,21)/b8-6-/t17-/m0/s1
inchikey: BNZYDQIAPCVNAT-QLBOMPFWSA-N
monoisotopicmass: 2.98250796E2
label: 9R-hydroxy-12Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179238
abbrev: FA 18:1;O

10-HOME(8)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+
inchikey: RXBFKZNLXJKTLQ-NTCAYCPXSA-N
monoisotopicmass: 2.98250796E2
label: 10-hydroxy-8-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179237
abbrev: FA 18:1;O

10R-HOME(8E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m1/s1
inchikey: RXBFKZNLXJKTLQ-OKACTXMXSA-N
monoisotopicmass: 2.98250796E2
label: 10R-hydroxy-8E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179243
abbrev: FA 18:1;O

11-HOME(9)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+
inchikey: MHBZYZVYSHCDLI-NTCAYCPXSA-N
monoisotopicmass: 2.98250796E2
label: 11-hydroxy-9-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179246
abbrev: FA 18:1;O

12R-HOME(9E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+/t17-/m1/s1
inchikey: WBHHMMIMDMUBKC-XLNAKTSKSA-N
monoisotopicmass: 2.98250796E2
label: 12R-hydroxy-9E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_45478
abbrev: FA 18:1;O

12S-HOME(9E)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+/t17-/m0/s1
inchikey: WBHHMMIMDMUBKC-KQPPXVQYSA-N
monoisotopicmass: 2.98250796E2
label: 12S-hydroxy-9E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179245
abbrev: FA 18:1;O

12S-HOME(9Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m0/s1
inchikey: WBHHMMIMDMUBKC-GKUQOKNUSA-N
monoisotopicmass: 2.98250796E2
label: 12S-hydroxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179244
abbrev: FA 18:1;O

8-hydroxy-11Z-octadecen-9-ynoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h7-8,17,19H,2-6,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-7-
inchikey: OTAWOAZBNLPFQR-FPLPWBNLSA-N
monoisotopicmass: 2.94219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

9-hydroxy-10E-octadecen-12-ynoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+
inchikey: AUBZNAUZNGCKAN-SDNWHVSQSA-N
monoisotopicmass: 2.94219496E2
label: Helenynolic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

12-hydroxy-9-octadecynoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)
inchikey: WLIGEPWCQYIUNZ-UHFFFAOYSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_188199
abbrev: FA 18:2;O

12S-hydroxy-9-octadecynoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/t17-/m0/s1
inchikey: WLIGEPWCQYIUNZ-KRWDZBQOSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_188207
abbrev: FA 18:2;O

12-hydroxy-10-octadecynoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-11,13-14,16H2,1H3,(H,20,21)
inchikey: JPDJPWVEHMJDNA-UHFFFAOYSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165795
abbrev: FA 18:2;O

9,12,13,TriHODE
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3+,14-13+
inchikey: MKYUCBXUUSZMQB-NMABCHCUSA-N
monoisotopicmass: 3.28224976E2
label: 9,12,13-trihydroxy-10,15-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165803
abbrev: FA 18:2;O3

5,8,12-TriHOME(9)
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-4-5-8-15(19)9-6-10-16(20)13-14-17(21)11-7-12-18(22)23/h6,10,15-17,19-21H,2-5,7-9,11-14H2,1H3,(H,22,23)/b10-6+
inchikey: LGADJSRSYLFTSG-UXBLZVDNSA-N
monoisotopicmass: 3.30240626E2
label: 5,8,12-trihydroxy-9-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_168756
abbrev: FA 18:1;O3

9,10,18-TriHOME(12)
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h4,8,16-17,19-21H,1-3,5-7,9-15H2,(H,22,23)/b8-4+
inchikey: NFBTXRAFZLIQAU-XBXARRHUSA-N
monoisotopicmass: 3.30240626E2
label: 9,10,18-trihydroxy-12-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_185042
abbrev: FA 18:1;O3

(+)-9,10,18-trihydroxy-12Z-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h4,8,16-17,19-21H,1-3,5-7,9-15H2,(H,22,23)/b8-4-/t16-,17-/m0/s1
inchikey: NFBTXRAFZLIQAU-IYZIGIFBSA-N
monoisotopicmass: 3.30240626E2
label: 9,10,18-TriHOME(12Z)
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_183593
abbrev: FA 18:1;O3

7S,8S-DiHODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h6-7,10,13,16-17,19-20H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/b7-6-,13-10-/t16-,17-/m0/s1
inchikey: NMONGVDUESEHOK-MPOZZNMKSA-N
monoisotopicmass: 3.12230061E2
label: 7S,8S-dihydroxy-9Z,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_15658
abbrev: FA 18:2;O2

7S,8S-DiHOME(9Z)
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10-/t16-,17-/m0/s1
inchikey: WBZXABQRBWTVNN-ZDSADJCOSA-N
monoisotopicmass: 3.14245711E2
label: 7S,8S-dihydroxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

7S,8S-DiHOTrE
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h3-4,6-7,10,13,16-17,19-20H,2,5,8-9,11-12,14-15H2,1H3,(H,21,22)/b4-3-,7-6-,13-10-/t16-,17-/m0/s1
inchikey: VWKNCZXDXPBMJN-PODPQGHUSA-N
monoisotopicmass: 3.10214411E2
label: 7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165762
abbrev: FA 18:3;O2

8S-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h6-7,11,14,17,19H,2-5,8-10,12-13,15-16H2,1H3,(H,20,21)/b7-6-,14-11-/t17-/m1/s1
inchikey: UKRXAPMQXXXXTD-VEPOBDBYSA-N
monoisotopicmass: 2.96235146E2
label: 8S-hydroxy-9Z,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165771
abbrev: FA 18:2;O

13S-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1
inchikey: HNICUWMFWZBIFP-IRQZEAMPSA-N
monoisotopicmass: 2.96235146E2
label: 13S-hydroxy-9Z,11E-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_34154
equivalent class: SLM_000501150
abbrev: FA 18:2;O

9,10-DiHOME
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7-
inchikey: XEBKSQSGNGRGDW-YFHOEESVSA-N
monoisotopicmass: 3.14245711E2
label: 9,10-dihydroxy-12Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_72663
equivalent class: SLM_000501360
abbrev: FA 18:1;O2

12,13-DiHOME
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-
inchikey: CQSLTKIXAJTQGA-FLIBITNWSA-N
monoisotopicmass: 3.14245711E2
label: 12,13-dihydroxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_72665
equivalent class: SLM_000501362
abbrev: FA 18:1;O2

9S-HODE-d4
type: Class
formula: C18H28D4O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1/i6D,8D,14D,17D
inchikey: NPDSHTNEKLQQIJ-VKLCZNAWSA-N
monoisotopicmass: 3.00260252E2
label: 9S-hydroxy-10E,12Z-octadecadienoic acid-d4
subclass of: https://www.lipidmaps.org/rdf/category/10200

12R-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
inchikey: ULQISTXYYBZJSJ-QGZVFWFLSA-N
monoisotopicmass: 3.00266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:0;O

13R-hydroxy-octadecanoic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
inchikey: MRWKWISFCDSNQN-QGZVFWFLSA-N
monoisotopicmass: 3.00266446E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:0;O

12,13 diHOME-(d4)
type: Class
formula: C18H30D4O4
inchi: InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-/i8D,11D,16D,17D
inchikey: CQSLTKIXAJTQGA-LZHWIENRSA-N
monoisotopicmass: 3.18270818E2
label: 12,13-dihydroxy-9Z-octadecenoic acid-(d4)
subclass of: https://www.lipidmaps.org/rdf/category/10200

9,10-diHOME-(d4)
type: Class
formula: C18H30D4O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7-/i7D,10D,16D,17D
inchikey: XEBKSQSGNGRGDW-LRVICGPYSA-N
monoisotopicmass: 3.18270818E2
label: 9,10-dihydroxy-12Z-octadecenoic acid-(d4)
subclass of: https://www.lipidmaps.org/rdf/category/10200

13S-HODE-(d4)
type: Class
formula: C18H28D4O3
inchi: InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1/i7D,9D,15D,17D
inchikey: HNICUWMFWZBIFP-QEYKCUBVSA-N
monoisotopicmass: 3.00260252E2
label: 13S-hydroxy-9Z,11E-octadecadienoic acid-(d4)
subclass of: https://www.lipidmaps.org/rdf/category/10200

(R)-10-hydroxystearic acid
type: Class
formula: C18H36O3
inchi: InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
inchikey: PAZZVPKITDJCPV-QGZVFWFLSA-N
monoisotopicmass: 3.00266446E2
label: 10R-hydroxyoctadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_33197
abbrev: FA 18:0;O

(9S,10S)-9,10-dihydroxyoctadecanoic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17-/m0/s1
inchikey: VACHUYIREGFMSP-IRXDYDNUSA-N
monoisotopicmass: 3.16261361E2
label: 9S,10S-dihydroxyoctadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_49254
equivalent class: SLM_000390049
abbrev: FA 18:0;O2

17-hydroxy-6Z,9Z,12Z-octadecatrienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,6-9,17,19H,4-5,10-16H2,1H3,(H,20,21)/b3-2-,8-6-,9-7-
inchikey: NUDXOGPEQRPSKT-MVOZTAHOSA-N
monoisotopicmass: 2.94219496E2
label: 17-hydroxy-linolenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_173125
abbrev: FA 18:3;O

3-keto stearic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: YQGGUZWHNVQJMF-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
label: 3-oxo-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_50576
abbrev: FA 18:1;O

4-keto stearic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: NARNRJNUUFXXBI-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
label: 4-oxo-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179236
abbrev: FA 18:1;O

5-keto stearic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: UIROXHXJKJUFSV-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
label: 5-oxo-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_172110
abbrev: FA 18:1;O

6-oxo-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: QZLYZQUYIQGGOQ-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
label: Lactarinic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179235
abbrev: FA 18:1;O

7-keto-stearic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-11-14-17(19)15-12-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: QVRRSLQNYJZXJI-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
label: 7-oxo-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165799
abbrev: FA 18:1;O

9-keto stearic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: KNYQSFOUGYMRDE-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
label: 9-oxo-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_172114
abbrev: FA 18:1;O

10-keto stearic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: BGKROBBCCGUUCF-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
label: 10-oxo-octadecanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_172116
abbrev: FA 18:1;O

12(13)-Epoxy-9-oxo-OME
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+
inchikey: RCMABBHQYMBYKV-BUHFOSPRSA-N
monoisotopicmass: 3.10214411E2
label: 9-oxo-12,13-epoxy-10-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_89606
abbrev: FA 18:3;O2

9-oxo-13-hydroxy-11-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-7-11-16(19)13-10-14-17(20)12-8-5-4-6-9-15-18(21)22/h10,13,16,19H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10+
inchikey: CNXCBZXQDAJZLD-JLHYYAGUSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

10-oxo-13-hydroxy-11-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h14-16,19H,2-13H2,1H3,(H,21,22)/b15-14+
inchikey: CZGIUGHMJZYXNX-CCEZHUSRSA-N
monoisotopicmass: 3.12230061E2
label: 13-hydroxy-10-oxo-11E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_138786
abbrev: FA 18:2;O2

12-oxo-13-hydroxy-9-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16,19H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8+
inchikey: FRHVCDKYCGTKJM-DHZHZOJOSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

9-OxoODE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+
inchikey: LUZSWWYKKLTDHU-SIGMCMEVSA-N
monoisotopicmass: 2.94219496E2
label: 9-oxo-10E,12E-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_72843
abbrev: FA 18:3;O

13-OxoODE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12+
inchikey: JHXAZBBVQSRKJR-KDFHGORWSA-N
monoisotopicmass: 2.94219496E2
label: 13-oxo-9,11-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_72815
abbrev: FA 18:3;O

16-methyl-10-oxo-heptadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-16(2)12-8-7-10-14-17(19)13-9-5-3-4-6-11-15-18(20)21/h16H,3-15H2,1-2H3,(H,20,21)
inchikey: DXSQWDXMGNYMDL-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179228
abbrev: FA 18:1;O

2-methyl-4-oxo-heptadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16(2)18(20)21/h16H,3-15H2,1-2H3,(H,20,21)
inchikey: FYKXUGIGKHKTDH-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179227
abbrev: FA 18:1;O

11-oxo-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: ZWXGGJPQIPPKPP-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_172112
abbrev: FA 18:1;O

12-oxo-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: OFOWUDSDZLONKT-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
label: Lycaonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179232
abbrev: FA 18:1;O

13-oxo-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: XJZICDVDQHWVAA-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179231
abbrev: FA 18:1;O

14-oxo-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-14-17(19)15-12-10-8-6-4-5-7-9-11-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: SNTUZKPEHBBWOS-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179230
abbrev: FA 18:1;O

15-oxo-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: ZNCSJRIRJLKPNR-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179229
abbrev: FA 18:1;O

16-oxo-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: VVQWXWRLWZLELC-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179234
abbrev: FA 18:1;O

17-oxo-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: WMMNNWMMXHQOPA-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165797
abbrev: FA 18:1;O

2-oxo-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: JUCAMRNDACLKGY-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_30820
abbrev: FA 18:1;O

8-oxo-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
inchikey: OTXWABSAIDKSMU-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_179233
abbrev: FA 18:1;O

9,10-dioxo-octadecanoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h2-15H2,1H3,(H,21,22)
inchikey: UCJSYDRGZVWHJS-UHFFFAOYSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165801
abbrev: FA 18:2;O2

12-OxoOME(10E)
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h12,15H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+
inchikey: HOGGRKZIIRPLLG-NTCAYCPXSA-N
monoisotopicmass: 2.96235146E2
label: 12-oxo-10E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

12-OxoOME(10Z)
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h12,15H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12-
inchikey: HOGGRKZIIRPLLG-QINSGFPZSA-N
monoisotopicmass: 2.96235146E2
label: 12-oxo-10Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

12-OxoOME(9E)
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+
inchikey: QHEOVCWNVASAFS-FMIVXFBMSA-N
monoisotopicmass: 2.96235146E2
label: 12-oxo-9E-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

12-OxoOME(9Z)
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-
inchikey: QHEOVCWNVASAFS-XFXZXTDPSA-N
monoisotopicmass: 2.96235146E2
label: 12-oxo-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid
type: Class
formula: C18H28O5
inchi: InChI=1S/C18H28O5/c19-14-10-9-12-17(21)15-16(20)11-7-5-3-1-2-4-6-8-13-18(22)23/h5,7,9,12,15,19,21H,1-4,6,8,10-11,13-14H2,(H,22,23)/b7-5-,12-9-,17-15-
inchikey: LFTUCYCUYUJMJB-PBBFMNGQSA-N
monoisotopicmass: 3.24193676E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_184845
abbrev: FA 18:4;O3

4-oxo-9Z,11Z,13E,15E-octadecatetraenoic acid
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)/b4-3+,6-5+,8-7-,10-9-
inchikey: ZYOSGENSARGRME-BEGPLMEHSA-N
monoisotopicmass: 2.90188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_132495
abbrev: FA 18:5;O

8-oxo-9,11-octadecadiynoic acid
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2-6,9-10,12-13,15-16H2,1H3,(H,20,21)
inchikey: MNEYSZJSCYXZQM-UHFFFAOYSA-N
monoisotopicmass: 2.90188195E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_192956
abbrev: FA 18:5;O

12-oxo-9-octadecynoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h2-8,10-11,13-16H2,1H3,(H,20,21)
inchikey: OWWCANRSILCUCQ-UHFFFAOYSA-N
monoisotopicmass: 2.94219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165796
abbrev: FA 18:3;O

4-oxo-9Z,11E,13E-octadecatrienoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h5-10H,2-4,11-16H2,1H3,(H,20,21)/b6-5+,8-7+,10-9-
inchikey: DTRGDWOPRCXRET-WPOADVJFSA-N
monoisotopicmass: 2.92203846E2
label: alpha-Licanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_28771
abbrev: FA 18:4;O

9-OxoODE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+
inchikey: LUZSWWYKKLTDHU-ZJHFMPGASA-N
monoisotopicmass: 2.94219496E2
label: 9-oxo-10E,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_72842
abbrev: FA 18:3;O

6R,7S-epoxy-octadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-13-16-17(21-16)14-11-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m0/s1
inchikey: PVMIAUUBHIBDJY-DLBZAZTESA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_34004
abbrev: FA 18:1;O

12,13-EpOME(9)
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8+
inchikey: CCPPLLJZDQAOHD-DHZHZOJOSA-N
monoisotopicmass: 2.96235146E2
label: 12,13-epoxy-9-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165794
abbrev: FA 18:2;O

9,10-epoxy-11-hydroxy-12-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-6-9-12-15(19)18-16(22-18)13-10-7-5-8-11-14-17(20)21/h9,12,15-16,18-19H,2-8,10-11,13-14H2,1H3,(H,20,21)/b12-9+
inchikey: RQBBZCMCNSJACV-FMIVXFBMSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_187465
abbrev: FA 18:2;O2

13-OH-9(10)-EpOME
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-7-10-15(19)13-14-17-16(22-17)11-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+
inchikey: BWLQUNFALXKBSJ-BUHFOSPRSA-N
monoisotopicmass: 3.12230061E2
label: 9,10-epoxy-13-hydroxy-11-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_34504
abbrev: FA 18:2;O2

9,10-epoxy-13-oxo-11-octadecenoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-7-10-15(19)13-14-17-16(22-17)11-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+
inchikey: BJIKXWWZEPAKQC-BUHFOSPRSA-N
monoisotopicmass: 3.10214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_167983
abbrev: FA 18:3;O2

9,10-EpOME(12)
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7+
inchikey: FBUKMFOXMZRGRB-JXMROGBWSA-N
monoisotopicmass: 2.96235146E2
label: 9,10-epoxy-12-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_190311
abbrev: FA 18:2;O

12,13S-EpODE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,14,16H,2-7,9-10,12-13,15H2,1H3,(H,19,20)/b11-8-,17-14-/t16-/m0/s1
inchikey: ZFVKKBAQVWQQHP-ALADIWIOSA-N
monoisotopicmass: 2.94219496E2
label: 12,13S-epoxy-9Z,11-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_15654
abbrev: FA 18:3;O

12S,13R-EpOME
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m1/s1
inchikey: CCPPLLJZDQAOHD-GJGKEFFFSA-N
monoisotopicmass: 2.96235146E2
label: 12S,13R-epoxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_27706
abbrev: FA 18:2;O

9R,10S-EpOME
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17+/m0/s1
inchikey: FBUKMFOXMZRGRB-SQGUUQMOSA-N
monoisotopicmass: 2.96235146E2
label: 9R,10S-epoxy-12Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_86022
abbrev: FA 18:2;O

5S,8R-DiHODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h6-7,9,11,16-17,19-20H,2-5,8,10,12-15H2,1H3,(H,21,22)/b7-6-,11-9-/t16-,17-/m0/s1
inchikey: CVXOCQUHJDKXHR-JFKQHRMJSA-N
monoisotopicmass: 3.12230061E2
label: 5S,8R-dihydroxy-9Z,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_63216
abbrev: FA 18:2;O2

10R-HpODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b11-8-,15-12+/t17-/m1/s1
inchikey: YONQBPOWOZLKHS-HLGVZOAESA-N
monoisotopicmass: 3.12230061E2
label: 10R-hydroperoxy-8E,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_64006
abbrev: FA 18:2;O2

10S-HpODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b11-8-,15-12+/t17-/m0/s1
inchikey: YONQBPOWOZLKHS-NDTUJAEZSA-N
monoisotopicmass: 3.12230061E2
label: 10S-hydroperoxy-8E,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_75833
abbrev: FA 18:2;O2

8R-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h6-7,11,14,17,19H,2-5,8-10,12-13,15-16H2,1H3,(H,20,21)/b7-6-,14-11-/t17-/m0/s1
inchikey: UKRXAPMQXXXXTD-QMEIEYGNSA-N
monoisotopicmass: 2.96235146E2
label: 8R-hydroxy-9Z,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_28932
abbrev: FA 18:2;O

13-hydroxy-9-methoxy-10-oxo-11E-octadecenoic acid
type: Class
formula: C19H34O5
inchi: InChI=1S/C19H34O5/c1-3-4-8-11-16(20)14-15-17(21)18(24-2)12-9-6-5-7-10-13-19(22)23/h14-16,18,20H,3-13H2,1-2H3,(H,22,23)/b15-14+
inchikey: VFSWPXFUIZSPGW-CCEZHUSRSA-N
monoisotopicmass: 3.42240626E2
label: 13-hydroxy-9-methoxy-10-oxooctadec-11-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_171679
abbrev: FA 19:2;O3

14,18-dihydroxy-12-oxo-9E,13Z,15E-octadecatrienoic acid
type: Class
formula: C18H28O5
inchi: InChI=1S/C18H28O5/c19-14-10-9-12-17(21)15-16(20)11-7-5-3-1-2-4-6-8-13-18(22)23/h5,7,9,12,15,19,21H,1-4,6,8,10-11,13-14H2,(H,22,23)/b7-5+,12-9+,17-15+
inchikey: LFTUCYCUYUJMJB-KNDGICLUSA-N
monoisotopicmass: 3.24193676E2
label: Cibaric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O3

2-hydroxy-9Z,12Z-Octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)/b7-6-,10-9-
inchikey: AFDSETGKYZMEEA-HZJYTTRNSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_136927
abbrev: FA 18:2;O

9-oxo-12Z-Octadecenoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8H,2-5,7,9-16H2,1H3,(H,20,21)/b8-6-
inchikey: BKJBXNYJVJPQLE-VURMDHGXSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

9S-hydroxy-12Z-Octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,17,19H,2-5,7,9-16H2,1H3,(H,20,21)/b8-6-/t17-/m1/s1
inchikey: BNZYDQIAPCVNAT-BQLWYNFJSA-N
monoisotopicmass: 2.98250796E2
label: Isoricinoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O

4-oxo-octa-deca-9Z,11E,13E,15Z-tetraenoic acid
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)/b4-3-,6-5+,8-7+,10-9-
inchikey: ZYOSGENSARGRME-ZSCYQOFPSA-N
monoisotopicmass: 2.90188195E2
label: Chrysobalanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_187125
abbrev: FA 18:5;O

9S,12R,13S-trihydroxy-10E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16+,17-/m0/s1
inchikey: MDIUMSLCYIJBQC-XFMWCYPDSA-N
monoisotopicmass: 3.30240626E2
label: Dihydromalyngic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9R,12R,13R-trihydroxy-10E,15Z-octadecadienoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+/t15-,16-,17-/m1/s1
inchikey: MKYUCBXUUSZMQB-CADTUUFHSA-N
monoisotopicmass: 3.28224976E2
label: Fulgidic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O3

8Z,10Z,12Z,14E-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-11H,2-3,12-17H2,1H3,(H,19,20)/b5-4+,7-6-,9-8-,11-10-
inchikey: FCQPVKRMQXBSAO-GGBIPKAMSA-N
monoisotopicmass: 2.7620893E2
label: Ixoric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4

4-oxo-9E,11E,13E-octadecatrienoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h5-10H,2-4,11-16H2,1H3,(H,20,21)/b6-5+,8-7+,10-9+
inchikey: DTRGDWOPRCXRET-SUTYWZMXSA-N
monoisotopicmass: 2.92203846E2
label: beta-Licanic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O

9Z,13E,15Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-6,9-10H,2,7-8,11-17H2,1H3,(H,19,20)/b4-3-,6-5+,10-9-
inchikey: REOBRTYMNNYVNT-NZCJRGAMSA-N
monoisotopicmass: 2.78224581E2
label: Isorumelenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3

9Z,11E,15Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,7-10H,2,5-6,11-17H2,1H3,(H,19,20)/b4-3-,8-7+,10-9-
inchikey: WTMLOMJSCCOUNI-QQFSJYTNSA-N
monoisotopicmass: 2.78224581E2
label: Rumelenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_48907
abbrev: FA 18:3

11E,15Z-octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,19,20)/b4-3-,8-7+
inchikey: HHELYEVVXBEXIZ-ODYTWBPASA-N
monoisotopicmass: 2.80240231E2
label: Vaccelenic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2

13-Hydroxy-3E,9Z,11E-octadecatrienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9-10,12-13,15,17,19H,2-6,8,11,14,16H2,1H3,(H,20,21)/b9-7-,13-10+,15-12+
inchikey: CAIMZJYSCLVTDV-KJLLYAGXSA-N
monoisotopicmass: 2.94219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

12,13-Dihydroxyoleic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-/t16-,17-/m0/s1
inchikey: CQSLTKIXAJTQGA-BTDPBSJTSA-N
monoisotopicmass: 3.14245711E2
label: 12S,13S-dihydroxy-9Z-Octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

16-methyl-octadeca-9Z,12Z-dienoic acid
type: Class
formula: C19H34O2
inchi: InChI=1S/C19H34O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h4,6,10,12,18H,3,5,7-9,11,13-17H2,1-2H3,(H,20,21)/b6-4-,12-10-
inchikey: DHIGOOLAUAATJD-OHPMOLHNSA-N
monoisotopicmass: 2.94255881E2
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 19:2

5E,9Z,12Z,15Z-Octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,13-14H,2,5,8,11-12,15-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,14-13+
inchikey: DNOBNGNBPVOMLW-TWMAVKMASA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4

15R,16S-epoxy-9Z,12E-octadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-16-17(21-16)14-12-10-8-6-4-3-5-7-9-11-13-15-18(19)20/h4,6,10,12,16-17H,2-3,5,7-9,11,13-15H2,1H3,(H,19,20)/b6-4-,12-10+/t16-,17+/m1/s1
inchikey: HKSDVVJONLXYKL-HGPZTKBUSA-N
monoisotopicmass: 2.94219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

9,10-epoxy-3E,12Z-Octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,9-10,12,16-17H,2-6,8,11,13-15H2,1H3,(H,19,20)/b10-7-,12-9+
inchikey: ILGCWXMOGYJMJD-PWZCAXEFSA-N
monoisotopicmass: 2.94219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

11-cis-Linoleic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7-,10-9+
inchikey: JBYXPOFIGCOSSB-UQGDGPGGSA-N
monoisotopicmass: 2.80240231E2
label: 9E,11Z-Octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2

8-hydroxy-11Z,14Z-Octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h4-5,7-8,17,19H,2-3,6,9-16H2,1H3,(H,20,21)/b5-4-,8-7-
inchikey: JZGOJMVGPJEQST-UTOQUPLUSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

9-hydroxy-11Z-Octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h8,11,17,19H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-
inchikey: KNMSLQJUPUXEQJ-FLIBITNWSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O

12-Keto-9Z,13Z,15Z-octadecatrienoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,11-12,14H,2,5-8,10,13,15-16H2,1H3,(H,20,21)/b4-3-,12-9-,14-11+
inchikey: KWTFJBXQTYIPIU-YMVUBCEOSA-N
monoisotopicmass: 2.92203846E2
label: 12-Oxo-9Z,13Z,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_197235
abbrev: FA 18:4;O

13-keto-trans-9-octadecenoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9H,2-6,8,10-16H2,1H3,(H,20,21)/b9-7+
inchikey: LDYZTLZOFONHNA-VQHVLOKHSA-N
monoisotopicmass: 2.96235146E2
label: 13-oxo-9E-Octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

9-Hydroxy-3,10,12-octadecatrienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,10-11,13-14,17,19H,2-5,7,9,12,15-16H2,1H3,(H,20,21)/b8-6-,13-10+,14-11+
inchikey: LTOFZIXKIKLRQG-IXYDBLGKSA-N
monoisotopicmass: 2.94219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

9R,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+/t15-,16+,17-/m1/s1
inchikey: MKYUCBXUUSZMQB-HAOPIQBUSA-N
monoisotopicmass: 3.28224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O3

9R,12S,13S-Trihydroxy-10E,15Z-octadecadienoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+/t15-,16+,17+/m1/s1
inchikey: MKYUCBXUUSZMQB-HYAXQORXSA-N
monoisotopicmass: 3.28224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O3

15-Hydroxy-9Z,15Z-octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,14,19H,2-3,5,7-13,15-16H2,1H3,(H,20,21)/b6-4-,17-14+
inchikey: MYPYRFSQQKRVDW-DXDNVFLHSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

15-hydroxy-9Z,12Z-Octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-
inchikey: MZQXAWAWDWCIKG-OHPMOLHNSA-N
monoisotopicmass: 2.96235146E2
label: 15-hydroxy-linoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_193256
abbrev: FA 18:2;O

9,10,18-trihydroxy-12Z-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h4,8,16-17,19-21H,1-3,5-7,9-15H2,(H,22,23)/b8-4-
inchikey: NFBTXRAFZLIQAU-YWEYNIOJSA-N
monoisotopicmass: 3.30240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9-hydroxy-10,12-Octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)
inchikey: NPDSHTNEKLQQIJ-UHFFFAOYSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

3Z,6Z,9Z-Octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,12-13,15-16H,2-8,11,14,17H2,1H3,(H,19,20)/b10-9-,13-12-,16-15-
inchikey: NTKHCYPTISBJFG-YOILPLPUSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3

4Z,8Z,12Z,15Z-Octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,10-11,14-15H,2,5,8-9,12-13,16-17H2,1H3,(H,19,20)/b4-3-,7-6-,11-10-,15-14-
inchikey: SIVLURJESSFFDP-UPXZQESFSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4

12R,13S-epoxy-6E,9Z-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h4-5,8,11,16-17H,2-3,6-7,9-10,12-15H2,1H3,(H,19,20)/b5-4+,11-8-/t16-,17+/m0/s1
inchikey: TVHXKPMFCYEQTM-DZDYOVOBSA-N
monoisotopicmass: 2.94219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_165764
abbrev: FA 18:3;O

12R,13S-epoxy-6Z,9Z-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h4-5,8,11,16-17H,2-3,6-7,9-10,12-15H2,1H3,(H,19,20)/b5-4-,11-8-/t16-,17+/m0/s1
inchikey: TVHXKPMFCYEQTM-ISTBTHKESA-N
monoisotopicmass: 2.94219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

3Z,6Z,9Z,12Z-Octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-,16-15-
inchikey: WIGBMAOBGOCVRT-DOFZRALJSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4

3Z,9Z-Octadecadienoic acid
type: Class
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,15-16H,2-8,11-14,17H2,1H3,(H,19,20)/b10-9-,16-15-
inchikey: WLKSZZAYIXDXJI-GJWNNSPJSA-N
monoisotopicmass: 2.80240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2

9-keto-11Z-octadecenoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-
inchikey: XLGYOGUDSFUNBU-FLIBITNWSA-N
monoisotopicmass: 2.96235146E2
label: 9-oxo-11Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

9,10-epoxyoctadecanoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
inchikey: IMYZYCNQZDBZBQ-UHFFFAOYSA-N
monoisotopicmass: 2.98250796E2
label: 9,10-epoxystearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_85661
equivalent class: SLM_000501370
abbrev: FA 18:1;O

7,10-dihydroxy-8E-octadecenoic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-8-11-16(19)14-15-17(20)12-9-7-10-13-18(21)22/h14-17,19-20H,2-13H2,1H3,(H,21,22)/b15-14+
inchikey: IPRLELFMTNDNMN-CCEZHUSRSA-N
monoisotopicmass: 3.14245711E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

9Z,11Z,13Z,15Z-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-10H,2,11-17H2,1H3,(H,19,20)/b4-3-,6-5-,8-7-,10-9-
inchikey: IJTNSXPMYKJZPR-WKSFOPBCSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4

13R-HPODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m1/s1
inchikey: JDSRHVWSAMTSSN-PIHGWCCBSA-N
monoisotopicmass: 3.12230061E2
label: 13R-hydroperoxy-9Z,11E-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_39573
abbrev: FA 18:2;O2

9S,10R,13S-trihydroxy-11E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17+/m0/s1
inchikey: NTVFQBIHLSPEGQ-SYMVGPSASA-N
monoisotopicmass: 3.30240626E2
label: 9S,10R,13S-trihydroxyoctadec-11E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9R,10S,13R-trihydroxy-11E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17+/m1/s1
inchikey: NTVFQBIHLSPEGQ-ZVWIDNOQSA-N
monoisotopicmass: 3.30240626E2
label: 9R,10S,13R-trihydroxyoctadec-11E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9S,10S,13R-trihydroxy-11E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16+,17+/m1/s1
inchikey: NTVFQBIHLSPEGQ-ACWVRRSXSA-N
monoisotopicmass: 3.30240626E2
label: 9S,10S,13R-trihydroxyoctadec-11E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9R,10R,13S-trihydroxy-11E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16+,17+/m0/s1
inchikey: NTVFQBIHLSPEGQ-WFZKJPOOSA-N
monoisotopicmass: 3.30240626E2
label: 9R,10R,13S-trihydroxyoctadec-11E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9S,10R,13R-trihydroxy-11E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16+,17-/m1/s1
inchikey: NTVFQBIHLSPEGQ-IEIGRNHOSA-N
monoisotopicmass: 3.30240626E2
label: 9S,10R,13R-trihydroxyoctadec-11E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9R,10S,13S-trihydroxy-11E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16+,17-/m0/s1
inchikey: NTVFQBIHLSPEGQ-XFMWCYPDSA-N
monoisotopicmass: 3.30240626E2
label: 9R,10S,13S-trihydroxyoctadec-11E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9S,10S,13S-trihydroxy-11E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m0/s1
inchikey: NTVFQBIHLSPEGQ-MVFSOIOZSA-N
monoisotopicmass: 3.30240626E2
label: 9S,10S,13S-trihydroxyoctadec-11E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9R,10R,13R-trihydroxy-11E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m1/s1
inchikey: NTVFQBIHLSPEGQ-AUXPREMHSA-N
monoisotopicmass: 3.30240626E2
label: 9R,10R,13R-trihydroxyoctadec-11E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9S,12R,13S-trihydroxy-10E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17+/m0/s1
inchikey: MDIUMSLCYIJBQC-SYMVGPSASA-N
monoisotopicmass: 3.30240626E2
label: 9S,12R,13S-trihydroxyoctadec-10E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9R,12S,13R-trihydroxy-10E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17+/m1/s1
inchikey: MDIUMSLCYIJBQC-ZVWIDNOQSA-N
monoisotopicmass: 3.30240626E2
label: 9R,12S,13R-trihydroxyoctadec-10E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9R,12S,13S-trihydroxy-10E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16+,17+/m1/s1
inchikey: MDIUMSLCYIJBQC-ACWVRRSXSA-N
monoisotopicmass: 3.30240626E2
label: 9R,12S,13S-trihydroxyoctadec-10E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9S,12R,13R-trihydroxy-10E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16+,17+/m0/s1
inchikey: MDIUMSLCYIJBQC-WFZKJPOOSA-N
monoisotopicmass: 3.30240626E2
label: 9S,12R,13R-trihydroxyoctadec-10E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9R,12R,13S-trihydroxy-10E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16+,17-/m1/s1
inchikey: MDIUMSLCYIJBQC-IEIGRNHOSA-N
monoisotopicmass: 3.30240626E2
label: 9R,12R,13S-trihydroxyoctadec-10E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9R,12R,13R-trihydroxy-10E-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m1/s1
inchikey: MDIUMSLCYIJBQC-AUXPREMHSA-N
monoisotopicmass: 3.30240626E2
label: 9R,12R,13R-trihydroxyoctadec-10E-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

9E,11E,15Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,7-10H,2,5-6,11-17H2,1H3,(H,19,20)/b4-3-,8-7+,10-9+
inchikey: WTMLOMJSCCOUNI-IICWQLAKSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3

10-hydroxy-12Z-octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11,17,19H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-
inchikey: WVYIZGMCLSGZGG-FLIBITNWSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_192538
abbrev: FA 18:1;O

10-hydroxy-12E-octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11,17,19H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8+
inchikey: WVYIZGMCLSGZGG-DHZHZOJOSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O

6E,9E,11E-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10,12-13H,2-6,11,14-17H2,1H3,(H,19,20)/b8-7+,10-9+,13-12+
inchikey: ZVFWWMZFFBSDTB-IPSSGZLVSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3

6Z,9E,11E-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10,12-13H,2-6,11,14-17H2,1H3,(H,19,20)/b8-7+,10-9+,13-12-
inchikey: ZVFWWMZFFBSDTB-UFGMRAMMSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3

5Z,8Z,11Z,14Z,17Z-octadecapentaenoic acid
type: Class
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,4-5,7-8,10-11,13-14H,1,3,6,9,12,15-17H2,(H,19,20)/b5-4-,8-7-,11-10-,14-13-
inchikey: QGOBAKWVSYWVNA-GJDCDIHCSA-N
monoisotopicmass: 2.7419328E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:5

8Z,11Z,14Z-octadecatrienoic acid
type: Class
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,7-8,10-11H,2-3,6,9,12-17H2,1H3,(H,19,20)/b5-4-,8-7-,11-10-
inchikey: CTMZJQAVRYEWHS-YSTUJMKBSA-N
monoisotopicmass: 2.78224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3

(6Z,8E,10E,12Z)-octadeca-(6,8,10,12)-tetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-13H,2-5,14-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10+,13-12-
inchikey: RFUWLZKZDWRDDA-MNQUYVSVSA-N
monoisotopicmass: 2.7620893E2
label: 6Z,8E,10E,12Z-octadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4

10-hydroxy-9Z,12Z-octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11,15,19H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+
inchikey: OXCUTPXSTORRTP-XYWKCAQWSA-N
monoisotopicmass: 2.96235146E2
label: 10-hydroxyoctadeca-9Z,12Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

13-hydroxy-9Z,12Z-octadecadienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,15,19H,2-6,8,10-14,16H2,1H3,(H,20,21)/b9-7-,17-15+
inchikey: KJXHHTPQSFDEKB-ZKMIVQISSA-N
monoisotopicmass: 2.96235146E2
label: 13-hydroxyoctadeca-9Z,12Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

10,13-dihydroxy-9Z,12Z-octadecadienoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h12,14,19-20H,2-11,13,15H2,1H3,(H,21,22)/b16-14+,17-12+
inchikey: UOCYOYPCAPYJLN-VKESVQGDSA-N
monoisotopicmass: 3.12230061E2
label: 10,13-dihydroxyoctadeca-9Z,12Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

13S-hydroxy-11E-octadec-9-ynoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m0/s1
inchikey: FYPCNVCBWHQKJO-VMEIHUARSA-N
monoisotopicmass: 2.94219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

(9R,12R,13S)-12,13-Dihydroxy-9,10-octadecadienoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,14,16-17,19-20H,2-7,9-10,12-13,15H2,1H3,(H,21,22)/t11-,16-,17+/m0/s1
inchikey: FIFLDFYODFCEFA-MZPVMMEZSA-N
monoisotopicmass: 3.12230061E2
label: Puna'auic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

9S,10R,11R-trihydroxy-12Z,15Z-octadecadienoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18+/m1/s1
inchikey: KFINXCASWPGHEW-KBDXMMPDSA-N
monoisotopicmass: 3.28224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O3

6,9R,10S-trihydroxy-7E12Z,15Z-octadecatrienoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-4-5-6-7-11-16(20)17(21)14-13-15(19)10-8-9-12-18(22)23/h3-4,6-7,13-17,19-21H,2,5,8-12H2,1H3,(H,22,23)/b4-3-,7-6-,14-13+/t15?,16-,17+/m0/s1
inchikey: ZSLSLXBXXIUXJO-QJTVQHGHSA-N
monoisotopicmass: 3.26209326E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O3

6,9R,10R-trihydroxy-7E12Z,15Z-octadecatrienoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-4-5-6-7-11-16(20)17(21)14-13-15(19)10-8-9-12-18(22)23/h3-4,6-7,13-17,19-21H,2,5,8-12H2,1H3,(H,22,23)/b4-3-,7-6-,14-13+/t15?,16-,17-/m1/s1
inchikey: ZSLSLXBXXIUXJO-MKIHOLHZSA-N
monoisotopicmass: 3.26209326E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O3

8R,9R,10S-trihydroxy-6Z-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-4-5-6-9-12-15(19)18(23)16(20)13-10-7-8-11-14-17(21)22/h10,13,15-16,18-20,23H,2-9,11-12,14H2,1H3,(H,21,22)/b13-10-/t15-,16+,18+/m0/s1
inchikey: XADHJHFFBMPQOS-OVXXOIRXSA-N
monoisotopicmass: 3.30240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

10,11-dihydroxyoctadeca-9E,12Z-dienoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-7-10-13-16(19)17(20)14-11-8-5-6-9-12-15-18(21)22/h10-11,13-14,16-17,19-20H,2-9,12,15H2,1H3,(H,21,22)/b13-10-,14-11+
inchikey: GJGSSMGEAZMVTN-FXYWYECCSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

4-oxo-2E,9E,17-octadecatrienoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h2,9-10,15-16H,1,3-8,11-14H2,(H,20,21)/b10-9+,16-15+
inchikey: YUAMLBJTILMTGK-DSIBUQCCSA-N
monoisotopicmass: 2.92203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O

4-oxo-2E,11Z,17-octadecatrienoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h2,7-8,15-16H,1,3-6,9-14H2,(H,20,21)/b8-7-,16-15+
inchikey: GJJQSLHKYMBDMD-LKRDCVSDSA-N
monoisotopicmass: 2.92203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O

4-oxo-2E,11Z-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h7-8,15-16H,2-6,9-14H2,1H3,(H,20,21)/b8-7-,16-15+
inchikey: BFEZTQZQUDAAIS-LKRDCVSDSA-N
monoisotopicmass: 2.94219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

4-oxo-2E,17-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h2,15-16H,1,3-14H2,(H,20,21)/b16-15+
inchikey: LAIGSRSLYYWKPR-FOCLMDBBSA-N
monoisotopicmass: 2.94219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

4-oxo-2E,9E-octadecadienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h9-10,15-16H,2-8,11-14H2,1H3,(H,20,21)/b10-9+,16-15+
inchikey: JOXIVAIPQNTJLU-DSIBUQCCSA-N
monoisotopicmass: 2.94219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

4-oxo-2E-octadecenoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h15-16H,2-14H2,1H3,(H,20,21)/b16-15+
inchikey: DOCHQQOWHPNKAZ-FOCLMDBBSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

9-KOT
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+
inchikey: ACHDMUPTZYZIGR-CUHSZNQNSA-N
monoisotopicmass: 2.92203846E2
label: 9-oxo-10E,12Z,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_142251
abbrev: FA 18:4;O

11-hydroxy-12E-octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+
inchikey: ONAMALXVRDKFRJ-SDNWHVSQSA-N
monoisotopicmass: 2.98250796E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O

13S-HODTA
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3-4,6-7,9,11-12,15,17,19H,2,5,8,10,13-14,16H2,1H3,(H,20,21)/b6-4-,9-7-,11-3-,15-12+/t17-/m0/s1
inchikey: NGBYXHBSPUAWMR-AYGRKINNSA-N
monoisotopicmass: 2.92203846E2
label: 13S-hydroxy-6Z,9Z,11E,15Z-octadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O

7-[(1R,2S,3S,5S)-3-[(1S,2R)-2-[(1R)-1-Hydroxypropyl]cyclopropyl]-6Z-oxabicyclo[3.1.0]hexan-2-yl]hept-6-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-15(19)14-9-12(14)13-10-16-18(22-16)11(13)7-5-3-4-6-8-17(20)21/h5,7,11-16,18-19H,2-4,6,8-10H2,1H3,(H,20,21)/b7-5-/t11-,12-,13+,14+,15+,16-,18+/m0/s1
inchikey: GPMZZMPGGQCIEV-HFOVYDPPSA-N
monoisotopicmass: 3.08198761E2
label: Cymatherol A
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O2

7-[(1R,2S,3S,5S)-3-[(1S,2R)-2-[(1S)-1-Hydroxypropyl]cyclopropyl]-6Z-oxabicyclo[3.1.0]hexan-2-yl]hept-6-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-15(19)14-9-12(14)13-10-16-18(22-16)11(13)7-5-3-4-6-8-17(20)21/h5,7,11-16,18-19H,2-4,6,8-10H2,1H3,(H,20,21)/b7-5-/t11-,12-,13+,14+,15-,16-,18+/m0/s1
inchikey: GPMZZMPGGQCIEV-LMBUMSSFSA-N
monoisotopicmass: 3.08198761E2
label: Cymatherol B
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O2

2S-methoxy-12-methyl-octadec-17-en-5-ynoic acid
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-4-5-6-12-15-18(2)16-13-10-8-7-9-11-14-17-19(23-3)20(21)22/h4,18-19H,1,5-8,10,12-17H2,2-3H3,(H,21,22)/t18?,19-/m0/s1
inchikey: QVPPXGQQEKCQFT-GGYWPGCISA-N
monoisotopicmass: 3.22250796E2
label: Stellettic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 20:3;O

(Z)-Stellettic acid B
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-4-5-6-12-15-18(2)16-13-10-8-7-9-11-14-17-19(23-3)20(21)22/h4,7-8,18-19H,1,5-6,10,12-17H2,2-3H3,(H,21,22)/b8-7-/t18?,19-/m0/s1
inchikey: KHBWVVURFCWYNT-YAALGORWSA-N
monoisotopicmass: 3.20235146E2
label: 2S-methoxy-12-methyloctadeca-7Z,17-dien-5-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 20:4;O

(E)-Stellettic acid B
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-4-5-6-12-15-18(2)16-13-10-8-7-9-11-14-17-19(23-3)20(21)22/h4,7-8,18-19H,1,5-6,10,12-17H2,2-3H3,(H,21,22)/b8-7+/t18?,19-/m0/s1
inchikey: KHBWVVURFCWYNT-QZEVDHHRSA-N
monoisotopicmass: 3.20235146E2
label: 2S-methoxy-12-methyloctadeca-7E,17-dien-5-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 20:4;O

(Z)-Stellettic acid C
type: Class
formula: C19H30O2
inchi: InChI=1S/C19H30O2/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21/h3,6,8,18H,1,4-5,10-17H2,2H3,(H,20,21)/b8-6-
inchikey: MYZUKLSBSYDRBA-VURMDHGXSA-N
monoisotopicmass: 2.90224581E2
label: 12-methyloctadeca-7Z,17-dien-5-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 19:4

12-methyl-17-octadecene-5-ynoic acid
type: Class
formula: C19H32O2
inchi: InChI=1S/C19H32O2/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21/h3,18H,1,4-6,8,10-17H2,2H3,(H,20,21)
inchikey: QDFJJLKEXYAXFA-UHFFFAOYSA-N
monoisotopicmass: 2.92240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 19:3

Solacetal A
type: Class
formula: C27H40O7
inchi: InChI=1S/C27H40O7/c1-4-5-6-8-11-14-22-26(30)23(15-12-9-7-10-13-16-25(29)32-3)34-27(33-22)20-17-18-21(28)24(19-20)31-2/h5-6,11,14,17-19,22-23,26-28,30H,4,7-10,12-13,15-16H2,1-3H3/b6-5+,14-11-/t22-,23+,26-,27-/m1/s1
inchikey: ALUUTMMYTWUEJL-FYKSXXDPSA-N
monoisotopicmass: 4.76277406E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 27:7;O5

Solacetal B
type: Class
formula: C26H38O6
inchi: InChI=1S/C26H38O6/c1-3-4-5-7-10-13-22-25(29)23(14-11-8-6-9-12-15-24(28)30-2)32-26(31-22)20-16-18-21(27)19-17-20/h4-5,10,13,16-19,22-23,25-27,29H,3,6-9,11-12,14-15H2,1-2H3/b5-4+,13-10-/t22-,23+,25-,26-/m1/s1
inchikey: DNRPVMBGWBVXOO-QFDBAHOHSA-N
monoisotopicmass: 4.46266841E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 26:7;O4

Solacetal C
type: Class
formula: C27H42O7
inchi: InChI=1S/C27H42O7/c1-4-5-6-8-11-14-22-26(30)23(15-12-9-7-10-13-16-25(29)32-3)34-27(33-22)20-17-18-21(28)24(19-20)31-2/h11,14,17-19,22-23,26-28,30H,4-10,12-13,15-16H2,1-3H3/b14-11-/t22-,23+,26-,27-/m1/s1
inchikey: BRAJKTXAHZAWAJ-CXJDUWBVSA-N
monoisotopicmass: 4.78293056E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 27:6;O5

Solacetal D
type: Class
formula: C28H44O8
inchi: InChI=1S/C28H44O8/c1-5-6-7-9-12-15-21-26(30)22(16-13-10-8-11-14-17-25(29)34-4)36-28(35-21)20-18-23(32-2)27(31)24(19-20)33-3/h12,15,18-19,21-22,26,28,30-31H,5-11,13-14,16-17H2,1-4H3/b15-12-/t21-,22+,26-,28-/m1/s1
inchikey: WCGSGSGEWBWAQG-ZWALSSILSA-N
monoisotopicmass: 5.08303621E2
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 28:6;O6

11-hydroxy-12,13-epoxy-octadecanoic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h15-16,18-19H,2-14H2,1H3,(H,20,21)
inchikey: BTMXTMNQUDQPJN-UHFFFAOYSA-N
monoisotopicmass: 3.14245711E2
label: Turneroic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

10-[(1R,2S,3S,5S)-3-(1-hydroxypropyl)-6-oxabicyclo[3.1.0]hex-2-yl]dec-9Z-enoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-15(19)14-12-16-18(22-16)13(14)10-8-6-4-3-5-7-9-11-17(20)21/h8,10,13-16,18-19H,2-7,9,11-12H2,1H3,(H,20,21)/b10-8-/t13-,14+,15-,16-,18+/m0/s1
inchikey: UMHMXTXOIVYKOO-RLHIQTTISA-N
monoisotopicmass: 3.10214411E2
label: Plasmodiophorol A
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

10-[(1S,3R,4R,6S,7S)-3-ethyl-6-hydroxy-2-oxabicyclo[2.2.1]hept-7-yl]dec-9Z-enoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-16-14-12-15(19)18(22-16)13(14)10-8-6-4-3-5-7-9-11-17(20)21/h8,10,13-16,18-19H,2-7,9,11-12H2,1H3,(H,20,21)/b10-8-/t13-,14+,15+,16-,18+/m0/s1
inchikey: QVWADKXXJXPCDQ-RAETWKFMSA-N
monoisotopicmass: 3.10214411E2
label: Plasmodiophorol B
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

10-{(1S,2S,3S,5R)-2,3-dihydroxy-5-[(1S)-1-hydroxypropyl]cyclopentyl}dec-9Z-enoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-15(19)14-12-16(20)18(23)13(14)10-8-6-4-3-5-7-9-11-17(21)22/h8,10,13-16,18-20,23H,2-7,9,11-12H2,1H3,(H,21,22)/b10-8-/t13-,14+,15-,16+,18+/m0/s1
inchikey: QFAVOSCGUOCENL-FNIQTPRVSA-N
monoisotopicmass: 3.28224976E2
label: Plasmodiophorol C
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O3

11R,12R-epoxy-8-oxo-9E-octadecenoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-4-8-11-16-17(22-16)14-13-15(19)10-7-5-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+/t16-,17-/m1/s1
inchikey: XXXKROALTSNGOI-UEWLMQCVSA-N
monoisotopicmass: 3.10214411E2
label: Trewioidesine A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

13R-hydroxy-8-oxo-octadeca-9E,11E-dienoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-6-11-16(19)13-9-10-14-17(20)12-7-4-5-8-15-18(21)22/h9-10,13-14,16,19H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+/t16-/m1/s1
inchikey: HAENZAKQJHHPIT-BRKJJSFFSA-N
monoisotopicmass: 3.10214411E2
label: Omphalotol A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

Omphalotol B
type: Class
formula: C19H34O5
inchi: InChI=1S/C19H34O5/c1-3-4-5-9-12-17(21)18(22)15-14-16(20)11-8-6-7-10-13-19(23)24-2/h14-15,17-18,21-22H,3-13H2,1-2H3/b15-14+/t17-,18+/m1/s1
inchikey: QEZBBWZDIOPSQQ-MCXRAWCPSA-N
monoisotopicmass: 3.42240626E2
label: methyl 11S,12R-dihydroxy-8-oxo-9E-octadecenoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 19:2;O3

(9Z)-10-{(1'R,2'S,3'S,5'S)-3-[(1''E)-prop-1''-en-1''-yl]-6'-oxabicyclo[3.1.0]hex-2'-yl}dec-9-enoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-10-14-13-16-18(21-16)15(14)11-8-6-4-3-5-7-9-12-17(19)20/h2,8,10-11,14-16,18H,3-7,9,12-13H2,1H3,(H,19,20)/b10-2+,11-8-/t14-,15+,16+,18-/m1/s1
inchikey: IWYBFCQYGWQGDW-DEQZJPLVSA-N
monoisotopicmass: 2.92203846E2
label: Ectocarpin A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O

9-hydroxy-10-oxo-12(Z),15(Z)-octadecadienoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7,10,17,20H,2,5-6,8-9,11-15H2,1H3,(H,21,22)/b4-3-,10-7-
inchikey: NJAYHLDXCVDTEV-ZJSQCTGTSA-N
monoisotopicmass: 3.10214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

5S-HODE
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h10-12,14,17,19H,2-9,13,15-16H2,1H3,(H,20,21)/b11-10-,14-12+/t17-/m1/s1
inchikey: YGKJJUMHBUARLK-LGMATZFVSA-N
monoisotopicmass: 2.96235146E2
label: 5S-Hydroxyoctadeca-6E,8Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

5-KODE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h10-12,14H,2-9,13,15-16H2,1H3,(H,20,21)/b11-10-,14-12+
inchikey: YVWMHFYOIJMUMN-HSINTONASA-N
monoisotopicmass: 2.94219496E2
label: 5-oxo-octadeca-6E,8Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_137754
abbrev: FA 18:3;O

18-hydroxy-5-oxo-octadeca-6E,8Z-dienoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c19-16-11-9-7-5-3-1-2-4-6-8-10-13-17(20)14-12-15-18(21)22/h6,8,10,13,19H,1-5,7,9,11-12,14-16H2,(H,21,22)/b8-6-,13-10+
inchikey: WUMXVBSMANMBJK-WLPHGBIISA-N
monoisotopicmass: 3.10214411E2
label: 5-oxo-18-ODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

5S,18-Dihydroxyoctadeca-6E,8Z-dienoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c19-16-11-9-7-5-3-1-2-4-6-8-10-13-17(20)14-12-15-18(21)22/h6,8,10,13,17,19-20H,1-5,7,9,11-12,14-16H2,(H,21,22)/b8-6-,13-10+/t17-/m1/s1
inchikey: RPFAXJQGBOULPA-CQLUAUNVSA-N
monoisotopicmass: 3.12230061E2
label: 5S,18-diHODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

18-Hydroxylinoleic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5,7,19H,3-4,6,8-17H2,(H,20,21)/b2-1-,7-5-
inchikey: KPBOLLJJMHIJPH-PQZOIKATSA-N
monoisotopicmass: 2.96235146E2
label: 18-hydroxyoctadeca-9Z,12Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_132472
abbrev: FA 18:2;O

17-Hydroxylinoleic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,17,19H,4-6,8,10-16H2,1H3,(H,20,21)/b3-2-,9-7-
inchikey: PLKBLKWFUGXKDQ-YXRHTCTQSA-N
monoisotopicmass: 2.96235146E2
label: 17-hydroxyoctadeca-9Z,12Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_145302
abbrev: FA 18:2;O

11R-Hydroxylinoleic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h11-12,14-15,17,19H,2-10,13,16H2,1H3,(H,20,21)/b14-11-,15-12-/t17-/m1/s1
inchikey: GIJZWHLTBMCTJV-LILDEJAOSA-N
monoisotopicmass: 2.96235146E2
label: 11R-hydroxyoctadeca-9Z,12Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

11S-Hydroxylinoleic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h11-12,14-15,17,19H,2-10,13,16H2,1H3,(H,20,21)/b14-11-,15-12-/t17-/m0/s1
inchikey: GIJZWHLTBMCTJV-PDBSFCERSA-N
monoisotopicmass: 2.96235146E2
label: 11S-hydroxyoctadeca-9Z,12Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

9R-HpODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+/t17-/m0/s1
inchikey: JGUNZIWGNMQSBM-WXUVIADPSA-N
monoisotopicmass: 3.12230061E2
label: 9R-hydroperoxy-10E,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_63331
abbrev: FA 18:2;O2

11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,15-16,18-19H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-/t15?,16-,18-/m0/s1
inchikey: UZCLYICSWADYGM-VHIAHCGJSA-N
monoisotopicmass: 3.12230061E2
label: 11OH-12,13-EpOME
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_132678
abbrev: FA 18:2;O2

11-oxo-(12,13)-epoxy-(9Z)-octadecenoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,16,18H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-
inchikey: RDGAFGWICQNYLG-BENRWUELSA-N
monoisotopicmass: 3.10214411E2
label: 11-oxo-12,13-EpOME
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

16-hydroxylinoleic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5,9,11,17,19H,2,4,6-8,10,12-16H2,1H3,(H,20,21)/b5-3-,11-9-
inchikey: LTOHDWWJWIVOOP-IVCPHRBRSA-N
monoisotopicmass: 2.96235146E2
label: 16-hydroxyoctadeca-9Z,12Z-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

11-Oxo-9(10)-EpOME
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-4-6-9-12-15(19)18-16(22-18)13-10-7-5-8-11-14-17(20)21/h9,12,16,18H,2-8,10-11,13-14H2,1H3,(H,20,21)/b12-9-
inchikey: KNJVAURHORWMMN-XFXZXTDPSA-N
monoisotopicmass: 3.10214411E2
label: 11-oxo-9,10-epoxy-(12Z)-octadecenoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

11-OH-9(10)-EpOME
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-6-9-12-15(19)18-16(22-18)13-10-7-5-8-11-14-17(20)21/h9,12,15-16,18-19H,2-8,10-11,13-14H2,1H3,(H,20,21)/b12-9-
inchikey: RQBBZCMCNSJACV-XFXZXTDPSA-N
monoisotopicmass: 3.12230061E2
label: 11-hydroxy-9,10-epoxy-(12Z)-octadecenoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

8-(2-butyl-6R-hydroxy-3-oxocyclohex-1-en-yl)octanoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-9-14-15(17(20)13-12-16(14)19)10-7-5-4-6-8-11-18(21)22/h17,20H,2-13H2,1H3,(H,21,22)/t17-/m1/s1
inchikey: OLFUTRYLBQEHBU-QGZVFWFLSA-N
monoisotopicmass: 3.10214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

8-(2-butyl-6S-hydroxy-3-oxocyclohex-1-en-yl)octanoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-9-14-15(17(20)13-12-16(14)19)10-7-5-4-6-8-11-18(21)22/h17,20H,2-13H2,1H3,(H,21,22)/t17-/m0/s1
inchikey: OLFUTRYLBQEHBU-KRWDZBQOSA-N
monoisotopicmass: 3.10214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

7-(5S-hydroxy-2-oxo-2-pentylcyclohex-1-en-yl)heptanoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-6-9-14-12-13-16(19)18(22)15(14)10-7-4-5-8-11-17(20)21/h16,19H,2-13H2,1H3,(H,20,21)/t16-/m0/s1
inchikey: SJJWDAHODFJZKU-INIZCTEOSA-N
monoisotopicmass: 3.10214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

7-(5R-hydroxy-2-oxo-2-pentylcyclohex-1-en-yl)heptanoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-6-9-14-12-13-16(19)18(22)15(14)10-7-4-5-8-11-17(20)21/h16,19H,2-13H2,1H3,(H,20,21)/t16-/m1/s1
inchikey: SJJWDAHODFJZKU-MRXNPFEDSA-N
monoisotopicmass: 3.10214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

13S-HOME(9Z)
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,17,19H,2-6,8,10-16H2,1H3,(H,20,21)/b9-7-/t17-/m0/s1
inchikey: QVAVREIGSFJSOU-KMDWOBIYSA-N
monoisotopicmass: 2.98250796E2
label: 13S-hydroxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O

10,13-Dihydroxyoctadecanoic acid
type: Class
formula: C18H36O4
inchi: InChI=1S/C18H36O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
inchikey: NMQSHRONGDFSQZ-UHFFFAOYSA-N
monoisotopicmass: 3.16261361E2
label: 10,13-Dihydroxystearic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_195339
abbrev: FA 18:0;O2

7,8,9-trihydroxy-10Z-octadecenoic acid
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-4-5-6-7-9-12-15(19)18(23)16(20)13-10-8-11-14-17(21)22/h9,12,15-16,18-20,23H,2-8,10-11,13-14H2,1H3,(H,21,22)/b12-9-
inchikey: IFNSOVOJBDIMSN-XFXZXTDPSA-N
monoisotopicmass: 3.30240626E2
label: Govanic Acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O3

1R,2S,9Z,12Z,14S,15R,16R)-16-chloro-2-ethyl-15-hydroxy-3-oxabicyclo[12.3.0]heptadeca-9,12-dien-4-one
type: Class
formula: C18H27O3Cl
inchi: InChI=1S/C18H27ClO3/c1-2-16-14-12-15(19)18(21)13(14)10-8-6-4-3-5-7-9-11-17(20)22-16/h3-4,8,10,13-16,18,21H,2,5-7,9,11-12H2,1H3/b4-3-,10-8-/t13-,14+,15+,16-,18+/m0/s1
inchikey: ZUMREQQVIGWVIM-ZZIRVTTQSA-N
monoisotopicmass: 3.26164873E2
label: Eiseniachloride A
subclass of: https://www.lipidmaps.org/rdf/category/10200

1R,2S,12Z,14S,15R,16R)-16-chloro-2-ethyl-15-hydroxy-3-oxabicyclo[12.3.0]heptadeca-12-en-4-one
type: Class
formula: C18H29O3Cl
inchi: InChI=1S/C18H29ClO3/c1-2-16-14-12-15(19)18(21)13(14)10-8-6-4-3-5-7-9-11-17(20)22-16/h8,10,13-16,18,21H,2-7,9,11-12H2,1H3/b10-8-/t13-,14+,15+,16-,18+/m0/s1
inchikey: HXFOJGYVWJVNOO-RAETWKFMSA-N
monoisotopicmass: 3.28180524E2
label: Eiseniachloride B
subclass of: https://www.lipidmaps.org/rdf/category/10200

(1R,2S,9Z,12Z,14S,15R,17S)-2-ethyl-3,16-dioxatricyclo[12.4.0.015,17]octadeca-9,12-dien-4-one
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-15-14-12-16-18(21-16)13(14)10-8-6-4-3-5-7-9-11-17(19)20-15/h3-4,8,10,13-16,18H,2,5-7,9,11-12H2,1H3/b4-3-,10-8-/t13-,14+,15-,16-,18+/m0/s1
inchikey: GZNRNQVZDUCYFB-SOVGUPCDSA-N
monoisotopicmass: 2.90188195E2
label: Ecklonialactone A
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_168744
abbrev: FA 18:5;O

(1R,2S,12Z,14S,15R,17S)-2-ethyl-3,16-dioxatricyclo[12.4.0.015,17]octadeca-12-en-4-one
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-15-14-12-16-18(21-16)13(14)10-8-6-4-3-5-7-9-11-17(19)20-15/h8,10,13-16,18H,2-7,9,11-12H2,1H3/b10-8-/t13-,14+,15-,16-,18+/m0/s1
inchikey: LGEIXYGSQMJMKE-RLHIQTTISA-N
monoisotopicmass: 2.92203846E2
label: Ecklonialactone B
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:5;O

13-hydroxyoctadeca-9Z,15Z-dienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11,17,19H,2,4-6,8,10,12-16H2,1H3,(H,20,21)/b9-7-,11-3-
inchikey: RXTABFLLDULHQN-DFLDIKSJSA-N
monoisotopicmass: 2.96235146E2
label: 9(Z),15(Z)-13-HODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

13-oxo-octadeca-9Z,15Z-dienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11H,2,4-6,8,10,12-16H2,1H3,(H,20,21)/b9-7-,11-3-
inchikey: PUMIBSUJPRFRQZ-DFLDIKSJSA-N
monoisotopicmass: 2.94219496E2
label: 9(Z),15(Z)-13-oxo-ODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

13-Hydroxy-cis-9-octadecenoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,17,19H,2-6,8,10-16H2,1H3,(H,20,21)/b9-7-
inchikey: QVAVREIGSFJSOU-CLFYSBASSA-N
monoisotopicmass: 2.98250796E2
label: 9(Z)-13-HOME
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O

18-hydroxyoctadeca-6Z,9Z,12Z-trienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5-8,19H,3-4,9-17H2,(H,20,21)/b2-1-,7-5-,8-6-
inchikey: YIJMVXGFGSOQQT-UAOXYDSYSA-N
monoisotopicmass: 2.94219496E2
label: 6(Z),9(Z),12(Z)-18-HOTrE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

12-hydroxyoctadeca-6Z,9Z,13E-trienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h5-6,9,11-12,14,17,19H,2-4,7-8,10,13,15-16H2,1H3,(H,20,21)/b6-5-,12-9-,14-11+
inchikey: INTTUWRYCFSRCL-JLEHKITMSA-N
monoisotopicmass: 2.94219496E2
label: 6(Z),9(Z),13(E)-12-HOTrE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

13-hydroxyoctadeca-6Z,9Z-dienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h4,6-7,9,17,19H,2-3,5,8,10-16H2,1H3,(H,20,21)/b6-4-,9-7-
inchikey: QDOVPCHTYPXDIZ-PJPBHMPJSA-N
monoisotopicmass: 2.96235146E2
label: 6(Z),9(Z)-13-HODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

13-oxooctadeca-6Z,9Z-dienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h4,6-7,9H,2-3,5,8,10-16H2,1H3,(H,20,21)/b6-4-,9-7-
inchikey: JQBZTXVMMUQPJP-PJPBHMPJSA-N
monoisotopicmass: 2.94219496E2
label: 6(Z),9(Z)-13-oxo-ODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

10,13-dihydroxyoctadec-6Z-enoic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h4,6,16-17,19-20H,2-3,5,7-15H2,1H3,(H,21,22)/b6-4-
inchikey: YVSPHCQQMKRCNG-XQRVVYSFSA-N
monoisotopicmass: 3.14245711E2
label: 6(Z)-10,13-DiHOME
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

10-hydroxyoctadec-6Z-enoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h6,9,17,19H,2-5,7-8,10-16H2,1H3,(H,20,21)/b9-6-
inchikey: KRJHKEOEIFHHQJ-TWGQIWQCSA-N
monoisotopicmass: 2.98250796E2
label: 6(Z)-10-HOME
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O

10-oxooctadec-6Z-enoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h6,9H,2-5,7-8,10-16H2,1H3,(H,20,21)/b9-6-
inchikey: ACGDXTBBRQFFHQ-TWGQIWQCSA-N
monoisotopicmass: 2.96235146E2
label: 6(Z)-10-oxo-OME
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

10(E),12(Z),14(E)-9,16-DiHOTrE
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14,16-17,19-20H,2-5,9,11,13,15H2,1H3,(H,21,22)/b7-6-,12-8+,14-10+
inchikey: MFZRTUAMBHHFIO-KSRQSNCLSA-N
monoisotopicmass: 3.10214411E2
label: 9,16-dihydroxy-octadeca-10E,12Z,14E-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

10-hydroxyoctadeca-11E,15Z-dienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,11,14,17,19H,2,5-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,14-11+
inchikey: VXGQTAWXMKTSEQ-DSBCBKPPSA-N
monoisotopicmass: 2.96235146E2
label: 11(E),15(Z)-10-HODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

10-oxooctadeca-11E,15Z-dienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,11,14H,2,5-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,14-11+
inchikey: TYWAWOZYYKNOQJ-DSBCBKPPSA-N
monoisotopicmass: 2.94219496E2
label: 11(E),15(Z)-10-oxo-ODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

10-Hydroxyoctadeca-12Z,15Z-dienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,8,11,17,19H,2,5-7,9-10,12-16H2,1H3,(H,20,21)/b4-3-,11-8-
inchikey: WPPBDPYWQAWPCV-MLQKXRJWSA-N
monoisotopicmass: 2.96235146E2
label: 12(Z),15(Z)-10-HODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

10-oxooctadeca-12Z,15Z-dienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,8,11H,2,5-7,9-10,12-16H2,1H3,(H,20,21)/b4-3-,11-8-
inchikey: HIAXPMGDNFNROF-MLQKXRJWSA-N
monoisotopicmass: 2.94219496E2
label: 12(Z),15(Z)-10-oxo-ODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

12,13-dihydroxy-octadeca-6Z,9Z,15Z-trienoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h3-5,8,10-11,16-17,19-20H,2,6-7,9,12-15H2,1H3,(H,21,22)/b5-4-,10-3-,11-8-
inchikey: ZXDQHWZYUWRXSZ-OMKQWHBQSA-N
monoisotopicmass: 3.10214411E2
label: 6(Z),9(Z),15(Z)-12,13-DiHOTrE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

6,7-dihydroxy-octadeca-9Z,12,15Z-trienoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-13-16(19)17(20)14-11-12-15-18(21)22/h3-4,6-7,9-10,16-17,19-20H,2,5,8,11-15H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
inchikey: FVBBPIUJGMJWMX-PDBXOOCHSA-N
monoisotopicmass: 3.10214411E2
label: 9(Z),12(Z),15(Z)-6,7-DiHOTrE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

10-Hydroxy-octadeca-8E,12Z-dienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11-12,15,17,19H,2-7,9-10,13-14,16H2,1H3,(H,20,21)/b11-8-,15-12+
inchikey: XUDNDTZOWNNWHA-UEAALKJISA-N
monoisotopicmass: 2.96235146E2
label: 8(E),12(Z)-10-HODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

3(Z),9(Z),12(Z),15(Z)-6,7-DiHOTE
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-3-4-5-6-7-8-9-10-13-16(19)17(20)14-11-12-15-18(21)22/h3-4,6-7,9-12,16-17,19-20H,2,5,8,13-15H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,12-11-
inchikey: FFGXSAGFFZIUGX-DEZMJOPXSA-N
monoisotopicmass: 3.08198761E2
label: 6,7-Dihydroxy-octadeca-3Z,9Z,12Z,15Z-tetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O2

3(Z),6(Z),12(Z),15(Z)-9,10-DiHOTE
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7-12,16-17,19-20H,2,5-6,13-15H2,1H3,(H,21,22)/b4-3-,10-7-,11-8-,12-9-
inchikey: XKBFAEALWXELMK-KUTUGXQDSA-N
monoisotopicmass: 3.08198761E2
label: 9,10-Dihydroxy-octadeca-3Z,6Z,12Z,15Z-tetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O2

6(Z),12(Z),15(Z)-9,10-DiHOTrE
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7-8,10-11,16-17,19-20H,2,5-6,9,12-15H2,1H3,(H,21,22)/b4-3-,10-7-,11-8-
inchikey: ZFHVNLJOCSRGII-HGUCXBRZSA-N
monoisotopicmass: 3.10214411E2
label: 9,10-Dihydroxy-octadeca-6Z,12Z,15Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

6(Z),10(E),12(Z)-9-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8-9,11-12,14,17,19H,2-5,7,10,13,15-16H2,1H3,(H,20,21)/b8-6-,12-9-,14-11+
inchikey: JIYAONITMKZUHD-FTQXOWNPSA-N
monoisotopicmass: 2.94219496E2
label: 9-hydroxyoctadeca-6Z,10E,12Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

10-hydroxyoctadeca-6Z,8E,12Z-trienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h6,8-9,11-12,15,17,19H,2-5,7,10,13-14,16H2,1H3,(H,20,21)/b9-6-,11-8-,15-12+
inchikey: KEYMETUQXWLIPS-XCHAJGETSA-N
monoisotopicmass: 2.94219496E2
label: 6(Z),8(E),12(Z)-10-HOTrE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

10-oxooctadeca-6Z,12Z-dienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h6,8-9,11H,2-5,7,10,12-16H2,1H3,(H,20,21)/b9-6-,11-8-
inchikey: MUXLQGLFZHZOEI-WALAJLDXSA-N
monoisotopicmass: 2.94219496E2
label: 6(Z),12(Z)-10-oxo-ODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

10-hydroxyoctadeca-6Z,12Z-dienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h6,8-9,11,17,19H,2-5,7,10,12-16H2,1H3,(H,20,21)/b9-6-,11-8-
inchikey: HBFPDKYDZJCBKU-WALAJLDXSA-N
monoisotopicmass: 2.96235146E2
label: 6(Z),12(Z)-10-HODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

10-hydroxyoctadeca-6Z,11E-dienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h6,9,11,14,17,19H,2-5,7-8,10,12-13,15-16H2,1H3,(H,20,21)/b9-6-,14-11+
inchikey: RTFREGQDNRCUEI-BLMPOAMMSA-N
monoisotopicmass: 2.96235146E2
label: 6(Z),11(E)-10-HODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

10-oxooctadeca-6Z,11E-dienoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h6,9,11,14H,2-5,7-8,10,12-13,15-16H2,1H3,(H,20,21)/b9-6-,14-11+
inchikey: QMTYMSFFZCYAIQ-BLMPOAMMSA-N
monoisotopicmass: 2.94219496E2
label: 6(Z),11(E)-10-oxo-ODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

12-hydroxyoctadeca-9Z,13E-dienoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,11-12,14,17,19H,2-8,10,13,15-16H2,1H3,(H,20,21)/b12-9-,14-11+
inchikey: VCGWSRUBSQIDEJ-MMFCQQQJSA-N
monoisotopicmass: 2.96235146E2
label: 9(Z),13(E)-12-HODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

5(E),9(Z),12(Z)-7-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-11-14-17(19)15-12-10-13-16-18(20)21/h6-7,9,11-12,15,17,19H,2-5,8,10,13-14,16H2,1H3,(H,20,21)/b7-6-,11-9-,15-12+
inchikey: AYAXHHSGKZMBHR-XINQLHMASA-N
monoisotopicmass: 2.94219496E2
label: 7-hydroxyoctadeca-5E,9Z,12Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

12,13-dihydroxyoctadeca-3Z,6Z,9Z,15Z-tetraenoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h3-5,8-12,16-17,19-20H,2,6-7,13-15H2,1H3,(H,21,22)/b5-4-,10-3-,11-8-,12-9-
inchikey: UTJJDXGOKIBOLZ-RHBCWKDISA-N
monoisotopicmass: 3.08198761E2
label: 3(Z),6(Z),9(Z),15(Z)-12,13-DiHOTE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O2

10,13-dihydroxyoctadec-15Z-enoic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h3,8,16-17,19-20H,2,4-7,9-15H2,1H3,(H,21,22)/b8-3-
inchikey: HPPJCMARJZGVSX-BAQGIRSFSA-N
monoisotopicmass: 3.14245711E2
label: 15(Z)-10,13-DiHOME
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

10-hydroxyoctadec-15Z-enoic acid
type: Class
formula: C18H34O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,17,19H,2,5-16H2,1H3,(H,20,21)/b4-3-
inchikey: GUXVIZDGNKNLAF-ARJAWSKDSA-N
monoisotopicmass: 2.98250796E2
label: 15(Z)-10-HOME
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O

10-oxooctadec-15Z-enoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4H,2,5-16H2,1H3,(H,20,21)/b4-3-
inchikey: VMETUBIWOXTNTE-ARJAWSKDSA-N
monoisotopicmass: 2.96235146E2
label: 15(Z)-10-oxo-OME
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

15,16-dihydrixyoctadeca-3Z,6Z,9Z,12Z-tetraenoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h4-7,10-13,16-17,19-20H,2-3,8-9,14-15H2,1H3,(H,21,22)/b6-4-,7-5-,12-10-,13-11-
inchikey: IFRAKRZHDPZNJU-XBOCNYGYSA-N
monoisotopicmass: 3.08198761E2
label: 3(Z),6(Z),9(Z),12(Z)-15,16-DiHOTE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O2

15,16-dihydroxyoctadeca-6Z,9Z,12Z-trienoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h4-7,10,12,16-17,19-20H,2-3,8-9,11,13-15H2,1H3,(H,21,22)/b6-4-,7-5-,12-10-
inchikey: ATIZVYNQAMXIAC-DJGBNIDOSA-N
monoisotopicmass: 3.10214411E2
label: 6(Z),9(Z),12(Z)-15,16-DiHOTrE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

13-Oxo-ODE-d3
type: Class
formula: C18H27D3O3
inchi: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/i7D,9D,15D
inchikey: JHXAZBBVQSRKJR-POQBIENVSA-N
monoisotopicmass: 2.97238326E2
label: 13-oxo-9Z,11E-9,10,12-d3-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200

9-Oxo-ODE-d3
type: Class
formula: C18H27D3O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/i6D,8D,14D
inchikey: LUZSWWYKKLTDHU-NWDBFPNJSA-N
monoisotopicmass: 2.97238326E2
label: 9-oxo-10E,12Z-10,12,13-d3-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200

(+/-)12(13)-EpOME-d4
type: Class
formula: C18H28D4O3
inchi: InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/i8D,11D,16D,17D
inchikey: CCPPLLJZDQAOHD-LZHWIENRSA-N
monoisotopicmass: 3.00260252E2
label: (+/-)12(13)-epoxy-9Z-octadecenoic-9,10,12,13-d4 acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200

(+/-)9(10)-EpOME-d4
type: Class
formula: C18H28D4O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/i7D,10D,16D,17D
inchikey: FBUKMFOXMZRGRB-LRVICGPYSA-N
monoisotopicmass: 3.00260252E2
label: (+/-)9(10)-epoxy-12Z-octadecenoic 9,10,12,13-d4 acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200

(+/-)10-hydroxy-12Z-octadecenoic acid-d5
type: Class
formula: C18H29D5O3
inchi: InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11,17,19H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-/i1D3,2D2
inchikey: WVYIZGMCLSGZGG-PJKSMEJXSA-N
monoisotopicmass: 3.03282179E2
label: 10-hydroxyoctadec-12Z-enoic-17,17,18,18,18-d5 acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200

10-oxo-12Z-octadecenoic acid-d5
type: Class
formula: C18H27D5O3
inchi: InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-/i1D3,2D2
inchikey: IEQLMTRAAYQDSD-PJKSMEJXSA-N
monoisotopicmass: 3.01266529E2
label: 10-oxooctadec-12Z-enoic-17,17,18,18,18-d5 acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200

14-oxo-12E-octadecenoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-14-17(19)15-12-10-8-6-4-5-7-9-11-13-16-18(20)21/h12,15H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+
inchikey: RESSGZJPPMBPGH-NTCAYCPXSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O

5,6-DiHODE
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(19)17(20)14-12-15-18(21)22/h6-7,9-10,16-17,19-20H,2-5,8,11-15H2,1H3,(H,21,22)/b7-6-,10-9-
inchikey: OHKQKWBPPNTVMR-HZJYTTRNSA-N
monoisotopicmass: 3.12230061E2
label: 5,6-Dihydroxy-9Z,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

5(6)-EpODE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-17(21-16)14-12-15-18(19)20/h6-7,9-10,16-17H,2-5,8,11-15H2,1H3,(H,19,20)/b7-6-,10-9-
inchikey: VKJKVBSGNYKEGH-HZJYTTRNSA-N
monoisotopicmass: 2.94219496E2
label: 5,6-Epoxy-9Z,12Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

13-hydroxy-12-oxo-9Z,15Z-octadecadienoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h3,8,10-11,16,19H,2,4-7,9,12-15H2,1H3,(H,21,22)/b10-3-,11-8-
inchikey: CXXMQDYRBRVCTH-OOHFSOINSA-N
monoisotopicmass: 3.10214411E2
label: 9Z,15Z-13-OH-12-oxo-ODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

13-HOTE
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3-4,6-7,9,11-12,15,17,19H,2,5,8,10,13-14,16H2,1H3,(H,20,21)/b6-4-,9-7-,11-3-,15-12+
inchikey: NGBYXHBSPUAWMR-YEKWYGGZSA-N
monoisotopicmass: 2.92203846E2
label: 13-hydroxy-6Z,9Z,11E,15Z-octadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O

10-HOPE
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,6,8-13,15,17,19H,2,5,7,14,16H2,1H3,(H,20,21)/b4-3-,9-6-,11-8-,13-10-,15-12+
inchikey: GZQPVGDQAXOOMC-WVMKNTHQSA-N
monoisotopicmass: 2.90188195E2
label: 10-hydroxy-3Z,6Z,8E,12Z,15Z-octadecapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:5;O

10-HOTE
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,6,8-9,11-12,15,17,19H,2,5,7,10,13-14,16H2,1H3,(H,20,21)/b4-3-,9-6-,11-8-,15-12+
inchikey: YUVVYHALXOFCQY-MJDRYVKYSA-N
monoisotopicmass: 2.92203846E2
label: 10-hydroxy-6Z,8E,12Z,15Z-octadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O

10-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,8,11-12,15,17,19H,2,5-7,9-10,13-14,16H2,1H3,(H,20,21)/b4-3-,11-8-,15-12+
inchikey: DOXKSWPVZWGPDC-STYPZPEKSA-N
monoisotopicmass: 2.94219496E2
label: 10-hydroxy-8E,12Z,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

11-OH-trans-12(13)-EpOME
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,15-16,18-19H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-
inchikey: UZCLYICSWADYGM-BENRWUELSA-N
monoisotopicmass: 3.12230061E2
label: 11-hydroxy-trans-12,13-epoxy-9Z-octadecenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O2

12-HOPE
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-6,9-14,17,19H,2,7-8,15-16H2,1H3,(H,20,21)/b4-3-,6-5-,12-9-,13-10-,14-11+
inchikey: DFACSVWYMNUSAR-KIKXDWMVSA-N
monoisotopicmass: 2.90188195E2
label: 12-hydroxy-3Z,6Z,9Z,13E,15Z-octadecapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:5;O

12-HOTE
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-6,9,11-12,14,17,19H,2,7-8,10,13,15-16H2,1H3,(H,20,21)/b4-3-,6-5-,12-9-,14-11+
inchikey: ZEGJXPHHTDTDCY-QNMIXUEKSA-N
monoisotopicmass: 2.92203846E2
label: 12-hydroxy-6Z,9Z,13E,15Z-octadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O

12-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,11-12,14,17,19H,2,5-8,10,13,15-16H2,1H3,(H,20,21)/b4-3-,12-9-,14-11+
inchikey: WOZLPPGKSWZLBI-YMVUBCEOSA-N
monoisotopicmass: 2.94219496E2
label: 12-hydroxy-9Z,13E,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

13-HOPE
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3-4,6-7,9-13,15,17,19H,2,5,8,14,16H2,1H3,(H,20,21)/b6-4-,9-7-,11-3-,13-10-,15-12+
inchikey: ZXVHNHCCWYNYLB-UEONGDEVSA-N
monoisotopicmass: 2.90188195E2
label: 13-hydroxy-3Z,6Z,9Z,11E,15Z-octadecapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:5;O

15-HOPE
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h2,4-7,10-14,17,19H,3,8-9,15-16H2,1H3,(H,20,21)/b6-4-,7-5-,12-10-,13-11-,14-2+
inchikey: XPWUKVYOFOEATI-VSQUKVKZSA-N
monoisotopicmass: 2.90188195E2
label: 15-hydroxy-3Z,6Z,9Z,12Z,16E-octadecapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:5;O

15-HOTE
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h2,4-7,10,12,14,17,19H,3,8-9,11,13,15-16H2,1H3,(H,20,21)/b6-4-,7-5-,12-10-,14-2+
inchikey: FWXXSEVULGRUJM-MGJPDENOSA-N
monoisotopicmass: 2.92203846E2
label: 15-hydroxy-6Z,9Z,12Z,16E-octadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O

15-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h2,4,6,10,12,14,17,19H,3,5,7-9,11,13,15-16H2,1H3,(H,20,21)/b6-4-,12-10-,14-2+
inchikey: IRMCFUPSKCOLOC-IYCVJFIFSA-N
monoisotopicmass: 2.94219496E2
label: 15-hydroxy-9Z,12Z,16E-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

16-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5,9,11,13,15,17,19H,2,4,6-8,10,12,14,16H2,1H3,(H,20,21)/b5-3-,11-9-,15-13+
inchikey: ILSZLGCGBGSHFR-CGLYFWTESA-N
monoisotopicmass: 2.94219496E2
label: 16-hydroxy-9Z,12Z,14E-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_190317
abbrev: FA 18:3;O

16-HOTE
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5-6,8-9,11,13,15,17,19H,2,4,7,10,12,14,16H2,1H3,(H,20,21)/b5-3-,8-6-,11-9-,15-13+
inchikey: DJKDYDSBLPTYDK-HJZRZKEBSA-N
monoisotopicmass: 2.92203846E2
label: 16-hydroxy-6Z,9Z,12Z,14E-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O

17-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,13,15,17,19H,4-6,8,10-12,14,16H2,1H3,(H,20,21)/b3-2-,9-7-,15-13-
inchikey: PSQSSLVXOIJSMX-XAFOFORCSA-N
monoisotopicmass: 2.94219496E2
label: 17-hydroxy-9Z,12Z,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
equivalent class: CHEBI_80463
abbrev: FA 18:3;O

18-HOTE
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5-8,11,13,19H,3-4,9-10,12,14-17H2,(H,20,21)/b2-1-,7-5-,8-6-,13-11-
inchikey: DFGDZELNUOOQLH-VINJGZITSA-N
monoisotopicmass: 2.92203846E2
label: 18-hydroxy-6Z,9Z,12Z,15Z-octadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O

18-HOTrE
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5,7,11,13,19H,3-4,6,8-10,12,14-17H2,(H,20,21)/b2-1-,7-5-,13-11-
inchikey: MYHBSGIXHQNKKA-QBSQDQRFSA-N
monoisotopicmass: 2.94219496E2
label: 18-hydroxy-9Z,12Z,15Z-octadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O

9-HOPE
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8-14,17,19H,2,5,7,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,12-9-,13-10-,14-11+
inchikey: NUQJPUFCNBWFDN-CSJNWEMSSA-N
monoisotopicmass: 2.90188195E2
label: 9-hydroxy-3Z,6Z,10E,12Z,15Z-octadecapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:5;O

9-HOTE
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8-9,11-12,14,17,19H,2,5,7,10,13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,12-9-,14-11+
inchikey: YHIIBURURBVQIG-WYOMFYCUSA-N
monoisotopicmass: 2.92203846E2
label: 9-hydroxy-6Z,10E,12Z,15Z-octadecatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:4;O

9,10,13-TriHODE
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+/t15-,16-,17-/m0/s1
inchikey: ADHVWICOFLYDST-SZTSADAQSA-N
monoisotopicmass: 3.28224976E2
label: 9S,10S,13S-trihydroxy-11E,15Z-octadecadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:2;O3

4-oxo DHA
type: Class
formula: C22H30O3
inchi: InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+
inchikey: UHNUULCIKILOHW-PQVBWYSWSA-N
monoisotopicmass: 3.42219496E2
label: 4-oxo-5E,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 22:7;O

12S,13S-dihydroxy-7-oxo-octadeca-8E,10E-dienoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-5-12-16(20)17(21)13-9-8-11-15(19)10-6-4-7-14-18(22)23/h8-9,11,13,16-17,20-21H,2-7,10,12,14H2,1H3,(H,22,23)/b11-8+,13-9+/t16-,17-/m0/s1
inchikey: HTOACTZIZAGPKM-SEIQTOGUSA-N
monoisotopicmass: 3.26209326E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O3

7S,8S-dihydroxy-13-oxo-octadeca-9E,11E-dienoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-5-10-15(19)11-8-9-13-17(21)16(20)12-6-4-7-14-18(22)23/h8-9,11,13,16-17,20-21H,2-7,10,12,14H2,1H3,(H,22,23)/b11-8+,13-9+/t16-,17-/m0/s1
inchikey: GKGHBWNMWKDOFA-SEIQTOGUSA-N
monoisotopicmass: 3.26209326E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O3

7R,8R-dihydroxyoctadec-9Z-enoic acid
type: Class
formula: C18H34O4
inchi: InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10-/t16-,17-/m1/s1
inchikey: WBZXABQRBWTVNN-YVYLTUATSA-N
monoisotopicmass: 3.14245711E2
label: 7R,8R-dihydroxyoleic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:1;O2

13-HOTrE-d5
type: Class
formula: C18H25D5O3
inchi: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/i1D3,2D2
inchikey: KLLGGGQNRTVBSU-TVADRFPNSA-N
monoisotopicmass: 2.99250879E2
label: 13-OH-9Z,11E,15Z-octadecatrienoic-17,17,18,18,18-d5 acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200

13-OH-9(10)-EpOME-d5
type: Class
formula: C18H28D5O4
inchi: InChI=1S/C18H32O4/c1-2-3-7-10-15(19)13-14-17-16(22-17)11-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+/i13D,14D,15D,16D,17D
inchikey: BWLQUNFALXKBSJ-MNMJVTTJSA-N
monoisotopicmass: 3.17261444E2
label: 9,10-epoxy-13-hydroxy-11-octadecenoic 9,10,11,12,13-d5 acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10200

9,12,13-TriHOME-[13C]3
type: Class
formula: C15[13C]3H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m0/s1/i14+1,16+1,17+1
inchikey: MDIUMSLCYIJBQC-PCDBWTEISA-N
monoisotopicmass: 3.33250691E2
label: 9S,12S,13S-trihydroxy-10E-octadecenoic acid-[13C]3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10200

13S-hydroxy-8-oxo-9E,11E-octadecadienoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-3-6-11-16(19)13-9-10-14-17(20)12-7-4-5-8-15-18(21)22/h9-10,13-14,16,19H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+/t16-/m0/s1
inchikey: HAENZAKQJHHPIT-NRJQCZOGSA-N
monoisotopicmass: 3.10214411E2
label: Omphalotol C
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10200
abbrev: FA 18:3;O2

(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-eneoctanoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1
inchikey: PMTMAFAPLCGXGK-JMTMCXQRSA-N
monoisotopicmass: 2.92203846E2
label: 12-oxo-PDA
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_15560
abbrev: FA 18:4;O

(9R,13R)-10-oxo-11-phytoenoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-7-10-15-13-14-17(19)16(15)11-8-5-4-6-9-12-18(20)21/h13-16H,2-12H2,1H3,(H,20,21)/t15-,16-/m1/s1
inchikey: WKABMUFTMQMEAJ-HZPDHXFCSA-N
monoisotopicmass: 2.94219496E2
label: (9R,13R)-2-oxo-5-pentyl-3-cyclopentene-1-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_187947
abbrev: FA 18:3;O

(9S,13S)-10-oxo-11-phytoenoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-7-10-15-13-14-17(19)16(15)11-8-5-4-6-9-12-18(20)21/h13-16H,2-12H2,1H3,(H,20,21)/t15-,16-/m0/s1
inchikey: WKABMUFTMQMEAJ-HOTGVXAUSA-N
monoisotopicmass: 2.94219496E2
label: (9S,13S)-2-oxo-5-pentyl-3-cyclopentene-1-octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
abbrev: FA 18:3;O

(1R,2R)-4-oxo-5-pentyl-2-cyclopentene-1-octanoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h13-16H,2-12H2,1H3,(H,20,21)/t15-,16-/m1/s1
inchikey: DYAIBFMALFTKBR-HZPDHXFCSA-N
monoisotopicmass: 2.94219496E2
label: (9R,13R)-15,16-dihydro-12-oxo-10-phytoenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
abbrev: FA 18:3;O

(1S,2S)-4-oxo-5-pentyl-2-cyclopentene-1-octanoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h13-16H,2-12H2,1H3,(H,20,21)/t15-,16-/m0/s1
inchikey: DYAIBFMALFTKBR-HOTGVXAUSA-N
monoisotopicmass: 2.94219496E2
label: (9S,13S)-15,16-dihydro-12-oxo-10-phytoenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
abbrev: FA 18:3;O

(1R,2R)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,15-16H,2,4-6,8-14H2,1H3,(H,20,21)/b7-3-/t15-,16-/m1/s1
inchikey: BZXZFDKIRZBJEP-GTOOTHNYSA-N
monoisotopicmass: 2.94219496E2
label: (9R,13R)-10,11-dihydro-12-oxo-15-phytoenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_49265
abbrev: FA 18:3;O

(1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid
type: Class
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,15-16H,2,4-6,8-14H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1
inchikey: BZXZFDKIRZBJEP-JMTMCXQRSA-N
monoisotopicmass: 2.94219496E2
label: (9S,13S)-10,11-dihydro-12-oxo-15-phytoenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_137132
abbrev: FA 18:3;O

(1R,2R)-3-oxo-2-(2'Z-pentenyl)cyclopentanehexanoic acid
type: Class
formula: C16H26O3
inchi: InChI=1S/C16H26O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,13-14H,2,4,6-12H2,1H3,(H,18,19)/b5-3-/t13-,14-/m1/s1
inchikey: WIJWBOWLVOOYFR-BDSSXFGHSA-N
monoisotopicmass: 2.66188195E2
label: (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_139085
abbrev: FA 16:3;O

(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopentanehexanoic acid
type: Class
formula: C16H26O3
inchi: InChI=1S/C16H26O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,13-14H,2,4,6-12H2,1H3,(H,18,19)/b5-3-/t13-,14-/m0/s1
inchikey: WIJWBOWLVOOYFR-DWMAKUKJSA-N
monoisotopicmass: 2.66188195E2
label: (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_196568
abbrev: FA 16:3;O

(1R,2R)-3-oxo-2-(2'Z-pentenyl)-cyclopentanebutanoic acid
type: Class
formula: C14H22O3
inchi: InChI=1S/C14H22O3/c1-2-3-4-7-12-11(9-10-13(12)15)6-5-8-14(16)17/h3-4,11-12H,2,5-10H2,1H3,(H,16,17)/b4-3-/t11-,12-/m1/s1
inchikey: LVQJNKFFJNUFNY-OPVGQWETSA-N
monoisotopicmass: 2.38156895E2
label: (9R,13R)-1a,1b-dihomo-jasmonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_137704
abbrev: FA 14:3;O

(1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentanebutanoic acid
type: Class
formula: C14H22O3
inchi: InChI=1S/C14H22O3/c1-2-3-4-7-12-11(9-10-13(12)15)6-5-8-14(16)17/h3-4,11-12H,2,5-10H2,1H3,(H,16,17)/b4-3-/t11-,12-/m0/s1
inchikey: LVQJNKFFJNUFNY-WGPFEIJOSA-N
monoisotopicmass: 2.38156895E2
label: (9S,13S)-1a,1b-dihomo-jasmonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_184237
abbrev: FA 14:3;O

(1R,2R)-3-oxo-2-pentyl-cyclopentaneoctanoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h15-16H,2-14H2,1H3,(H,20,21)/t15-,16-/m1/s1
inchikey: ITXGIRZCCUTEJX-HZPDHXFCSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_187928
abbrev: FA 18:2;O

(1S,2S)-3-oxo-2-pentyl-cyclopentaneoctanoic acid
type: Class
formula: C18H32O3
inchi: InChI=1S/C18H32O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h15-16H,2-14H2,1H3,(H,20,21)/t15-,16-/m0/s1
inchikey: ITXGIRZCCUTEJX-HOTGVXAUSA-N
monoisotopicmass: 2.96235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_187930
abbrev: FA 18:2;O

(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid
type: Class
formula: C16H28O3
inchi: InChI=1S/C16H28O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h13-14H,2-12H2,1H3,(H,18,19)/t13-,14-/m1/s1
inchikey: MTWJEFNRVOYKJI-ZIAGYGMSSA-N
monoisotopicmass: 2.68203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_138420
abbrev: FA 16:2;O

(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid
type: Class
formula: C16H28O3
inchi: InChI=1S/C16H28O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h13-14H,2-12H2,1H3,(H,18,19)/t13-,14-/m0/s1
inchikey: MTWJEFNRVOYKJI-KBPBESRZSA-N
monoisotopicmass: 2.68203846E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_186814
abbrev: FA 16:2;O

(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid
type: Class
formula: C14H24O3
inchi: InChI=1S/C14H24O3/c1-2-3-4-7-12-11(9-10-13(12)15)6-5-8-14(16)17/h11-12H,2-10H2,1H3,(H,16,17)/t11-,12-/m0/s1
inchikey: MQWNXLZVXAQZES-RYUDHWBXSA-N
monoisotopicmass: 2.40172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_165751
abbrev: FA 14:2;O

(1R,2R)-3-oxo-2-pentyl-cyclopentanebutanoic acid
type: Class
formula: C14H24O3
inchi: InChI=1S/C14H24O3/c1-2-3-4-7-12-11(9-10-13(12)15)6-5-8-14(16)17/h11-12H,2-10H2,1H3,(H,16,17)/t11-,12-/m1/s1
inchikey: MQWNXLZVXAQZES-VXGBXAGGSA-N
monoisotopicmass: 2.40172545E2
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_185342
abbrev: FA 14:2;O

(1S,2S)-3-oxo-2-(2'Z-pentenyl) cyclopent-4-enehexanoic acid
type: Class
formula: C16H24O3
inchi: InChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/b5-3-/t13-,14-/m0/s1
inchikey: SZVNKXCDJUBPQO-DWMAKUKJSA-N
monoisotopicmass: 2.64172545E2
label: dinor-12-oxo PDA
subclass of: https://www.lipidmaps.org/rdf/category/10201
equivalent class: CHEBI_138434
abbrev: FA 16:4;O

12-oxo-PDA-Ile
type: Class
formula: C24H39NO4
inchi: InChI=1S/C24H39NO4/c1-4-6-10-14-20-19(16-17-21(20)26)13-11-8-7-9-12-15-22(27)25-23(24(28)29)18(3)5-2/h6,10,16-20,23H,4-5,7-9,11-15H2,1-3H3,(H,25,27)(H,28,29)/b10-6-/t18-,19-,20-,23-/m0/s1
inchikey: PTOYKLKRHSDZSH-KWYIECQPSA-N
monoisotopicmass: 4.05287909E2
label: N-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-eneoctanyl isoleucine
subclass of: https://www.lipidmaps.org/rdf/category/10201

8-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoic acid
type: Class
formula: C18H28O3
inchi: InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7H,2,4-6,8-14H2,1H3,(H,20,21)/b7-3-
inchikey: RHVWQVSLVMXMBR-CLTKARDFSA-N
monoisotopicmass: 2.92203846E2
label: iso-12-oxo-PDA
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
abbrev: FA 18:4;O

6-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]hexanoic acid
type: Class
formula: C16H24O3
inchi: InChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5H,2,4,6-12H2,1H3,(H,18,19)/b5-3-
inchikey: PYOZWWIHFJKWLJ-HYXAFXHYSA-N
monoisotopicmass: 2.64172545E2
label: Dinor-iso-12-oxo-phytodienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
abbrev: FA 16:4;O

6-(4-oxo-5-((Z)-pent-2-en-1-yl)cyclopent-2-en-1-yl)hexa-4Z-enoic acid
type: Class
formula: C16H22O3
inchi: InChI=1S/C16H22O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3-6,11-14H,2,7-10H2,1H3,(H,18,19)/b5-3-,6-4-/t13-,14-/m0/s1
inchikey: CHFGZORVUOKWSG-NUGRLYJBSA-N
monoisotopicmass: 2.62156895E2
label: delta4-dinor-cis-OPDA
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
abbrev: FA 16:5;O

6-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]-4Z-hexenoic acid
type: Class
formula: C16H22O3
inchi: InChI=1S/C16H22O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3-6H,2,7-12H2,1H3,(H,18,19)/b5-3-,6-4-
inchikey: KBQRTKOXXDXPKW-GLIMQPGKSA-N
monoisotopicmass: 2.62156895E2
label: delta4-dinor-iso-OPDA
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
abbrev: FA 16:5;O

8-[5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-3-9-14-18(22)15(12-13-16(18)19)10-7-5-4-6-8-11-17(20)21/h3,9,12-13,15,22H,2,4-8,10-11,14H2,1H3,(H,20,21)/b9-3-
inchikey: JTVFMTUJWPGXRA-OQFOIZHKSA-N
monoisotopicmass: 3.08198761E2
label: Chromomoric acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
abbrev: FA 18:4;O2

14,15-dehydro-12-oxo-phytodienoic acid
type: Class
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,11,13-15H,2,4-6,8-10,12H2,1H3,(H,20,21)/b7-3-,16-11+
inchikey: PDNGUFGDDNNXDJ-UURXYQAZSA-N
monoisotopicmass: 2.90188195E2
label: 8-[(5E)-4-oxo-5-[(Z)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10201
abbrev: FA 18:5;O

12-oxo-PDA-Val
type: Class
formula: C23H37NO4
inchi: InChI=1S/C23H37NO4/c1-4-5-9-13-19-18(15-16-20(19)25)12-10-7-6-8-11-14-21(26)24-22(17(2)3)23(27)28/h5,9,15-19,22H,4,6-8,10-14H2,1-3H3,(H,24,26)(H,27,28)/b9-5-/t18-,19-,22-/m0/s1
inchikey: DTSRKGPFOWDWKR-YOODTRIKSA-N
monoisotopicmass: 3.91272259E2
label: N-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-eneoctanyl valine
subclass of: https://www.lipidmaps.org/rdf/category/10201

12-oxo-PDA-Phe
type: Class
formula: C27H37NO4
inchi: InChI=1S/C27H37NO4/c1-2-3-8-16-23-22(18-19-25(23)29)15-11-5-4-6-12-17-26(30)28-24(27(31)32)20-21-13-9-7-10-14-21/h3,7-10,13-14,18-19,22-24H,2,4-6,11-12,15-17,20H2,1H3,(H,28,30)(H,31,32)/b8-3-/t22-,23-,24-/m0/s1
inchikey: SVCBGFMYXWRPLR-QVOALPAMSA-N
monoisotopicmass: 4.39272259E2
label: N-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-eneoctanyl phenylalanine
subclass of: https://www.lipidmaps.org/rdf/category/10201

12-oxo-PDA-Ala
type: Class
formula: C21H33NO4
inchi: InChI=1S/C21H33NO4/c1-3-4-8-12-18-17(14-15-19(18)23)11-9-6-5-7-10-13-20(24)22-16(2)21(25)26/h4,8,14-18H,3,5-7,9-13H2,1-2H3,(H,22,24)(H,25,26)/b8-4-/t16-,17-,18-/m0/s1
inchikey: DJTIXKAUQXGFSX-LUKCBIIOSA-N
monoisotopicmass: 3.63240959E2
label: N-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-eneoctanyl alanine
subclass of: https://www.lipidmaps.org/rdf/category/10201

12-oxo-PDA-Glu
type: Class
formula: C23H35NO6
inchi: InChI=1S/C23H35NO6/c1-2-3-7-11-18-17(13-15-20(18)25)10-8-5-4-6-9-12-21(26)24-19(23(29)30)14-16-22(27)28/h3,7,13,15,17-19H,2,4-6,8-12,14,16H2,1H3,(H,24,26)(H,27,28)(H,29,30)/b7-3-/t17-,18-,19-/m0/s1
inchikey: MFQXLFWLPADQKT-LJYNCLAQSA-N
monoisotopicmass: 4.21246439E2
label: N-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-eneoctanyl glutamic acid
subclass of: https://www.lipidmaps.org/rdf/category/10201

12-oxo-PDA-Asp
type: Class
formula: C22H33NO6
inchi: InChI=1S/C22H33NO6/c1-2-3-7-11-17-16(13-14-19(17)24)10-8-5-4-6-9-12-20(25)23-18(22(28)29)15-21(26)27/h3,7,13-14,16-18H,2,4-6,8-12,15H2,1H3,(H,23,25)(H,26,27)(H,28,29)/b7-3-/t16-,17-,18-/m0/s1
inchikey: KEAFULWRYCQGEB-RNRBKQTQSA-N
monoisotopicmass: 4.07230789E2
label: N-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-eneoctanyl aspartic acid
subclass of: https://www.lipidmaps.org/rdf/category/10201

(1R,2R)-3-oxo-2-(pent-2Z-enyl)-cyclopentaneacetic acid
type: Class
formula: C12H18O3
inchi: InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
inchikey: ZNJFBWYDHIGLCU-HWKXXFMVSA-N
monoisotopicmass: 2.10125595E2
label: Jasmonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_18292
abbrev: FA 12:3;O

(1R,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneacetic acid
type: Class
formula: C12H18O3
inchi: InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m1/s1
inchikey: ZNJFBWYDHIGLCU-QKMQQOOLSA-N
monoisotopicmass: 2.10125595E2
label: (3R,7S)-iso-jasmonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_18435
abbrev: FA 12:3;O

(1S,2R)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneacetic acid
type: Class
formula: C12H18O3
inchi: InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m0/s1
inchikey: ZNJFBWYDHIGLCU-RWCMCFKCSA-N
monoisotopicmass: 2.10125595E2
label: (3S,7R)-iso-jasmonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_184618
abbrev: FA 12:3;O

(+)-7-epi--9,10-dihydrojasmonic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10+/m0/s1
inchikey: PQEYTAGBXNEUQL-VHSXEESVSA-N
monoisotopicmass: 2.12141245E2
label: (1S,2R)-3-oxo-2-pentyl-cyclopentaneacetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_180008
abbrev: FA 12:2;O

(-)-7-epi-9,10-dihydrojasmonic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10+/m1/s1
inchikey: PQEYTAGBXNEUQL-ZJUUUORDSA-N
monoisotopicmass: 2.12141245E2
label: (1R,2S)-3-oxo-2-pentyl-cyclopentaneacetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_180007
abbrev: FA 12:2;O

(1R,2S)-3-oxo-2-(5'-hydroxy-2'Z-pentenyl)-cyclopentaneacetic acid
type: Class
formula: C12H18O4
inchi: InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10+/m1/s1
inchikey: RZGFUGXQKMEMOO-SZXTZRQCSA-N
monoisotopicmass: 2.2612051E2
label: Tuberonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_133220
abbrev: FA 12:3;O2

(1S,2R)-3-oxo-2-(4'-hydroxy-2'Z-pentenyl)-cyclopentaneacetic acid
type: Class
formula: C12H18O4
inchi: InChI=1S/C12H18O4/c1-8(13)3-2-4-10-9(7-12(15)16)5-6-11(10)14/h2-3,8-10,13H,4-7H2,1H3,(H,15,16)/b3-2-/t8?,9-,10+/m0/s1
inchikey: KLPBEXRQJBKPDM-VFERKYTESA-N
monoisotopicmass: 2.2612051E2
label: epi-4'-hydroxyjasmonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_165792
abbrev: FA 12:3;O2

3-methyl-2-(pent-2Z-enyl)cyclopent-2-enone
type: Class
formula: C11H16O
inchi: InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-
inchikey: XMLSXPIVAXONDL-PLNGDYQASA-N
monoisotopicmass: 1.64120115E2
label: cis-Jasmone
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI 6084
abbrev: FA 11:3;O

Methyl jasmonate
type: Class
formula: C13H20O3
inchi: InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1
inchikey: GEWDNTWNSAZUDX-WQMVXFAESA-N
monoisotopicmass: 2.24141245E2
label: methyl 2-((1R,2R)-3-oxo-2-pent-2Z-enyl)cyclopentyl)acetate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_15929
abbrev: FA 13:3;O

12-hydroxyjasmonic acid
type: Class
formula: C12H18O4
inchi: InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10-/m1/s1
inchikey: RZGFUGXQKMEMOO-BSANDHCLSA-N
monoisotopicmass: 2.2612051E2
label: {(1R,2R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_37420
abbrev: FA 12:3;O2

(-)-11-hydroxy-9,10-dihydrojasmonic acid
type: Class
formula: C12H20O4
inchi: InChI=1S/C12H20O4/c1-8(13)3-2-4-10-9(7-12(15)16)5-6-11(10)14/h8-10,13H,2-7H2,1H3,(H,15,16)/t8?,9-,10-/m1/s1
inchikey: ZJPORBFEYXKGKA-VXRWAFEHSA-N
monoisotopicmass: 2.2813616E2
label: [(1R,2R)-2-(4-hydroxypentyl)-3-oxocyclopentyl]acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_38152
abbrev: FA 12:2;O2

(+)-cucurbic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+,11+/m1/s1
inchikey: LYSGIJUGUGJIPS-UOMVISFLSA-N
monoisotopicmass: 2.12141245E2
label: {(1R,2S,3S)-3-hydroxy-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_18446
abbrev: FA 12:2;O

(-)-12-hydroxy-9,10-dihydrojasmonic acid
type: Class
formula: C12H20O4
inchi: InChI=1S/C12H20O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h9-10,13H,1-8H2,(H,15,16)/t9-,10-/m1/s1
inchikey: SXFKEAKOXUOQGN-NXEZZACHSA-N
monoisotopicmass: 2.2813616E2
label: [(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_18472
abbrev: FA 12:2;O2

methyl (+)-7-isojasmonate
type: Class
formula: C13H20O3
inchi: InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11+/m1/s1
inchikey: GEWDNTWNSAZUDX-KWKBKKAHSA-N
monoisotopicmass: 2.24141245E2
label: methyl {(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_25242
abbrev: FA 13:3;O

(1S,2S)-3-oxo-2-(pent-2Z-enyl)- cyclopentaneacetic acid
type: Class
formula: C12H18O3
inchi: InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m0/s1
inchikey: ZNJFBWYDHIGLCU-CMIOBCHKSA-N
monoisotopicmass: 2.10125595E2
label: (3S,7S)-Jasmonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_139300
abbrev: FA 12:3;O

(-)-9,10-dihydrojasmonic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10-/m1/s1
inchikey: PQEYTAGBXNEUQL-NXEZZACHSA-N
monoisotopicmass: 2.12141245E2
label: [(1R,2R)-3-oxo-2-pentylcyclopentyl]acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_18473
abbrev: FA 12:2;O

(+)-9,10-dihydrojasmonic acid
type: Class
formula: C12H20O3
inchi: InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10-/m0/s1
inchikey: PQEYTAGBXNEUQL-UWVGGRQHSA-N
monoisotopicmass: 2.12141245E2
label: [(1S,2S)-3-oxo-2-pentylcyclopentyl]acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_18436
abbrev: FA 12:2;O

(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
type: Class
formula: C18H30O9
inchi: InChI=1S/C18H30O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h9-11,13,15-19,23-25H,2-8H2,1H3,(H,21,22)/t9?,10-,11-,13-,15-,16+,17-,18-/m1/s1
inchikey: QPYZJXJBZOQDGA-XGNCEZCHSA-N
monoisotopicmass: 3.90188986E2
label: {(1R,2R)-2-[4-(beta-D-glucopyranosyloxy)pentyl]-3-oxocyclopentyl}acetic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_18471
abbrev: FA 18:3;O7

12-hydroxyjasmonic acid 12-O-beta-D-glucoside
type: Class
formula: C19H30O8
inchi: InChI=1S/C19H30O8/c1-2-14-16(23)17(24)18(25)19(27-14)26-9-5-3-4-6-12-11(10-15(21)22)7-8-13(12)20/h3-4,11-12,14,16-19,23-25H,2,5-10H2,1H3,(H,21,22)/b4-3-/t11-,12-,14-,16-,17+,18-,19-/m1/s1
inchikey: MUTMEENBPQXSKZ-XHNXTXELSA-N
monoisotopicmass: 3.86194071E2
label: 2-((1R,2R)-2-((Z)-5-hydroxypent-2-enyl)-3-oxocyclopentyl)acetic acid 5-O-beta-D-glucoside
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_37419
abbrev: FA 19:4;O6

N-[9,10-Dihydrojasmonoyl]isoleucine
type: Class
formula: C18H31NO4
inchi: InChI=1S/C18H31NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h12-14,17H,4-11H2,1-3H3,(H,19,21)(H,22,23)/t12-,13+,14+,17-/m0/s1
inchikey: CEONHUOPPCKWAP-CFAJVAMVSA-N
monoisotopicmass: 3.25225309E2
label: [(1R,2R)-3-oxo-2-pentylcyclopentyl]ethanoyl leucine
subclass of: https://www.lipidmaps.org/rdf/category/10202

N-({(1R,2R)-3-Oxo-2-[(2Z)-Pent-2-En-1-Yl]cyclopentyl}acetyl)-L-Isoleucine
type: Class
formula: C18H29NO4
inchi: InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14+,17-/m0/s1
inchikey: IBZYPBGPOGJMBF-QRHMYKSGSA-N
monoisotopicmass: 3.23209659E2
label: N-jasmonoyl-isoleucine
subclass of: https://www.lipidmaps.org/rdf/category/10202
equivalent class: CHEBI_81897

N-({(1R,2R)-3-Oxo-2-[(2Z)-Pent-2-En-1-Yl]cyclopentyl}acetyl)-L-tyrosine
type: Class
formula: C21H27NO5
inchi: InChI=1S/C21H27NO5/c1-2-3-4-5-17-15(8-11-19(17)24)13-20(25)22-18(21(26)27)12-14-6-9-16(23)10-7-14/h3-4,6-7,9-10,15,17-18,23H,2,5,8,11-13H2,1H3,(H,22,25)(H,26,27)/b4-3-/t15-,17-,18+/m1/s1
inchikey: SLWSWKGGZQCLDU-WHHQMRSUSA-N
monoisotopicmass: 3.73188924E2
label: N-jasmonoyl-L-tyrosine
subclass of: https://www.lipidmaps.org/rdf/category/10202
subclass of: https://www.lipidmaps.org/rdf/category/10802
abbrev: NATyr 12:3;O

N-({(1R,2R)-3-Oxo-2-[(2Z)-Pent-2-En-1-Yl]cyclopentyl}acetyl)-L-dihydroxyphenylalanine
type: Class
formula: C21H27NO6
inchi: InChI=1S/C21H27NO6/c1-2-3-4-5-15-14(7-9-17(15)23)12-20(26)22-16(21(27)28)10-13-6-8-18(24)19(25)11-13/h3-4,6,8,11,14-16,24-25H,2,5,7,9-10,12H2,1H3,(H,22,26)(H,27,28)/b4-3-/t14-,15-,16+/m1/s1
inchikey: QMNCIZZUXQVCBL-OFMMPJDCSA-N
monoisotopicmass: 3.89183839E2
label: N-jasmonoyl-L-dopa
subclass of: https://www.lipidmaps.org/rdf/category/10202

N-({(1R,2R)-3-Oxo-2-[(2Z)-Pent-2-En-1-Yl]cyclopentyl}acetyl)-dopamine
type: Class
formula: C20H27NO4
inchi: InChI=1S/C20H27NO4/c1-2-3-4-5-16-15(7-9-17(16)22)13-20(25)21-11-10-14-6-8-18(23)19(24)12-14/h3-4,6,8,12,15-16,23-24H,2,5,7,9-11,13H2,1H3,(H,21,25)/b4-3-/t15-,16-/m1/s1
inchikey: AFMCJUGPIJIAOB-JGPFYOFESA-N
monoisotopicmass: 3.45194009E2
label: N-jasmonoyl-dopamine
subclass of: https://www.lipidmaps.org/rdf/category/10202

(1R,2R,2'E)-2-(5'-ethoxy-5'-oxo-2-penten-1-yl)-3-oxo-cyclopentane acetic acid methyl ester
type: Class
formula: C15H22O5
inchi: InChI=1S/C15H22O5/c1-3-20-14(17)7-5-4-6-12-11(8-9-13(12)16)10-15(18)19-2/h4-5,11-12H,3,6-10H2,1-2H3/b5-4+/t11-,12-/m1/s1
inchikey: DSPAYNUCMDGAJG-GKUNOOHESA-N
monoisotopicmass: 2.82146725E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10202
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 15:4;O3

(1R,2R,2'E)-2-(5'-methoxy-5'-oxo-2-penten-1-yl)-3-oxo-cyclopentane acetic acid ethyl ester
type: Class
formula: C15H22O5
inchi: InChI=1S/C15H22O5/c1-3-20-15(18)10-11-8-9-13(16)12(11)6-4-5-7-14(17)19-2/h4-5,11-12H,3,6-10H2,1-2H3/b5-4+/t11-,12-/m1/s1
inchikey: BHIAQEIFSZCSSD-GKUNOOHESA-N
monoisotopicmass: 2.82146725E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10202
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 15:4;O3

(1R,2R,2'E)-2-[5'-(hydroxy)-2-penten-1-yl]-3-oxocyclopentane acetic acid methyl ester
type: Class
formula: C13H20O4
inchi: InChI=1S/C13H20O4/c1-17-13(16)9-10-6-7-12(15)11(10)5-3-2-4-8-14/h2-3,10-11,14H,4-9H2,1H3/b3-2+/t10-,11-/m1/s1
inchikey: XCZTYYQNVNLGKI-WUNPDAOYSA-N
monoisotopicmass: 2.4013616E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 13:3;O2

methyl 2-((1R,2R)-2-((E)-5'-phenylacetoxypent-2-en-1-yl)-3-oxocyclopentyl) acetate
type: Class
formula: C21H26O5
inchi: InChI=1S/C21H26O5/c1-25-20(23)15-17-11-12-19(22)18(17)10-6-3-7-13-26-21(24)14-16-8-4-2-5-9-16/h2-6,8-9,17-18H,7,10-15H2,1H3/b6-3-/t17-,18-/m1/s1
inchikey: NSICQIRZIQEYAD-GPGHGMIHSA-N
monoisotopicmass: 3.58178025E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 21:8;O3

2-(2'-trans-pentenyl-5'-hydroxy)-3-methyl-2-cyclopenten-1-one
type: Class
formula: C11H16O2
inchi: InChI=1S/C11H16O2/c1-9-6-7-11(13)10(9)5-3-2-4-8-12/h2-3,12H,4-8H2,1H3/b3-2+
inchikey: GNZGMEFSZMZQOK-NSCUHMNNSA-N
monoisotopicmass: 1.8011503E2
subclass of: https://www.lipidmaps.org/rdf/category/10202
subclass of: https://www.lipidmaps.org/rdf/category/105
abbrev: FOH 11:4;O

Methyl 12-hydroxyjasmonate
type: Class
formula: C13H20O4
inchi: InChI=1S/C13H20O4/c1-17-13(16)9-10-6-7-12(15)11(10)5-3-2-4-8-14/h2-3,10-11,14H,4-9H2,1H3/b3-2-/t10-,11-/m1/s1
inchikey: XCZTYYQNVNLGKI-LVUHIJSRSA-N
monoisotopicmass: 2.4013616E2
label: methyl (1R,2R,2'Z)-2-(5'- hydroxy-2'-enyl)-3-oxo-cyclopentane-acetate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10202
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 13:3;O2

1R,2R,2'E)-2-(5-methoxy-5-oxo-2- penten-1-yl)-3-oxo-cyclopentaneacetic acid methyl ester
type: Class
formula: C14H20O5
inchi: InChI=1S/C14H20O5/c1-18-13(16)6-4-3-5-11-10(7-8-12(11)15)9-14(17)19-2/h3-4,10-11H,5-9H2,1-2H3/b4-3+/t10-,11-/m1/s1
inchikey: YHQFWDDDAPTOAH-YIZUVKHSSA-N
monoisotopicmass: 2.68131075E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10202
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 14:4;O3

(E)-8-(3,5-dihydroxy-2-(3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+
inchikey: RQXBHXSBLSHCPO-ZHACJKMWSA-N
monoisotopicmass: 3.28224976E2
label: 16-F1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_183557
abbrev: FA 18:2;O3

(E)-11-(2-ethyl-3,5-dihydroxycyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+
inchikey: GKBLNJXQDMHILB-ZHACJKMWSA-N
monoisotopicmass: 3.28224976E2
label: 9-F1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_183576
abbrev: FA 18:2;O3

11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9S-hydroxyundec-10E-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-16-14(11-13-17(16)20)10-12-15(19)8-6-4-3-5-7-9-18(21)22/h10,12,15,19H,2-9,11,13H2,1H3,(H,21,22)/b12-10+/t15-/m1/s1
inchikey: KXMANOZDITZERP-HBIYDYFMSA-N
monoisotopicmass: 3.08198761E2
label: ent-9-L1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_184244
abbrev: FA 18:4;O2

16-B1-PhytoP
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10,12,15,19H,2-9,11,13H2,1H3,(H,21,22)/b12-10+/t15-/m0/s1
inchikey: WJSAFQZKYVRPGM-PABFRNLHSA-N
monoisotopicmass: 3.08198761E2
label: 8-(2-(3S-hydroxypent-1E-en-1-yl)-5-oxocyclopent-1-en-1-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_185510
abbrev: FA 18:4;O2

11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9S-hydroxyundec-10E-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-16-14(11-13-17(16)20)10-12-15(19)8-6-4-3-5-7-9-18(21)22/h10,12,15,19H,2-9,11,13H2,1H3,(H,21,22)/b12-10+/t15-/m0/s1
inchikey: KXMANOZDITZERP-PABFRNLHSA-N
monoisotopicmass: 3.08198761E2
label: 9-L1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_185700
abbrev: FA 18:4;O2

8-(2-(3R-hydroxypent-1E-en-1-yl)-5-oxocyclopent-1-en-1-yl)octanoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10,12,15,19H,2-9,11,13H2,1H3,(H,21,22)/b12-10+/t15-/m1/s1
inchikey: WJSAFQZKYVRPGM-HBIYDYFMSA-N
monoisotopicmass: 3.08198761E2
label: ent-16-B1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:4;O2

11-((1R,2S,5R)-2-ethyl-5-hydroxy-3-oxocyclopentyl)-9R-hydroxyundec-10E-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,17+/m1/s1
inchikey: GEVZHBGQVSRMPD-DOWCJKKCSA-N
monoisotopicmass: 3.26209326E2
label: 9-epi-9-D1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

11-((1R,2S,5R)-2-ethyl-5-hydroxy-3-oxocyclopentyl)-9S-hydroxyundec-10E-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,17-/m0/s1
inchikey: GEVZHBGQVSRMPD-DYRILWCESA-N
monoisotopicmass: 3.26209326E2
label: 9-D1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

8-((1R,2S,3S,5R)-3,5-dihydroxy-2-(3S-hydroxypent-1E-en-1-yl)cyclopentyl)octanoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m0/s1
inchikey: RQXBHXSBLSHCPO-KYFQLVDCSA-N
monoisotopicmass: 3.28224976E2
label: ent-16-epi-16-F1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_183575
abbrev: FA 18:2;O3

8-((1R,2S,3S,5R)-3,5-dihydroxy-2-(3R-hydroxypent-1E-en-1-yl)cyclopentyl)octanoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m1/s1
inchikey: RQXBHXSBLSHCPO-DDGADJJWSA-N
monoisotopicmass: 3.28224976E2
label: ent-16-F1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

11-((1S,2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl)-9R-hydroxyundec-10E-enoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m1/s1
inchikey: GKBLNJXQDMHILB-DDGADJJWSA-N
monoisotopicmass: 3.28224976E2
label: 9-epi-9-F1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_183616
abbrev: FA 18:2;O3

11-((1S,2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl)-9S-hydroxyundec-10E-enoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m0/s1
inchikey: GKBLNJXQDMHILB-KYFQLVDCSA-N
monoisotopicmass: 3.28224976E2
label: 9-F1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

(S,E)-11-((1R,2S,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m0/s1
inchikey: GKBLNJXQDMHILB-HKTSXOKBSA-N
monoisotopicmass: 3.28224976E2
label: 9-F1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

(R,E)-11-((1R,2S,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17+/m1/s1
inchikey: GKBLNJXQDMHILB-GQJJRBOXSA-N
monoisotopicmass: 3.28224976E2
label: 9-epi-9-F1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

(R,E)-11-((1R,2S,3S,5R)-2-ethyl-3,5-dihydroxycyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m1/s1
inchikey: GKBLNJXQDMHILB-ZRMZGJFNSA-N
monoisotopicmass: 3.28224976E2
label: ent-9-F1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

(S,E)-11-((1R,2S,3S,5R)-2-ethyl-3,5-dihydroxycyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m0/s1
inchikey: GKBLNJXQDMHILB-RLDLTEIJSA-N
monoisotopicmass: 3.28224976E2
label: ent-9-epi-9-F1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_168359
abbrev: FA 18:2;O3

(R,E)-11-((1S,2R,3S,5R)-2-ethyl-3,5-dihydroxycyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m1/s1
inchikey: GKBLNJXQDMHILB-OEPZKWLOSA-N
monoisotopicmass: 3.28224976E2
label: ent-9-F1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

(S,E)-11-((1S,2R,3S,5R)-2-ethyl-3,5-dihydroxycyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17+/m0/s1
inchikey: GKBLNJXQDMHILB-JMADBNKSSA-N
monoisotopicmass: 3.28224976E2
label: ent-9-epi-9-F1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

16-F1t-PhytoP
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m0/s1
inchikey: RQXBHXSBLSHCPO-RLDLTEIJSA-N
monoisotopicmass: 3.28224976E2
label: 8-((1S,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_185219
abbrev: FA 18:2;O3

16-epi-16-F1t-PhytoP
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m1/s1
inchikey: RQXBHXSBLSHCPO-ZRMZGJFNSA-N
monoisotopicmass: 3.28224976E2
label: 8-((1S,2R,3R,5S)-3,5-dihydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

16-F1c-PhytoP
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17+/m0/s1
inchikey: RQXBHXSBLSHCPO-JMADBNKSSA-N
monoisotopicmass: 3.28224976E2
label: 8-((1R,2S,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

16-epi-16-F1c-PhytoP
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m1/s1
inchikey: RQXBHXSBLSHCPO-OEPZKWLOSA-N
monoisotopicmass: 3.28224976E2
label: 8-((1R,2S,3R,5S)-3,5-dihydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

8-((1S,2R,3S,5R)-3,5-dihydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17+/m1/s1
inchikey: RQXBHXSBLSHCPO-GQJJRBOXSA-N
monoisotopicmass: 3.28224976E2
label: ent-16-F1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

8-((1S,2R,3S,5R)-3,5-dihydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m0/s1
inchikey: RQXBHXSBLSHCPO-HKTSXOKBSA-N
monoisotopicmass: 3.28224976E2
label: ent-16-epi-16-F1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

(S,E)-11-(2-ethyl-5-oxocyclopent-1-en-1-yl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-14-10-13-17(20)16(14)12-11-15(19)8-6-4-3-5-7-9-18(21)22/h11-12,15,19H,2-10,13H2,1H3,(H,21,22)/b12-11+/t15-/m0/s1
inchikey: FBBJRRDLBWJGIR-RUMSDORHSA-N
monoisotopicmass: 3.08198761E2
label: 9-B1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_173192
abbrev: FA 18:4;O2

(R,E)-11-(2-ethyl-5-oxocyclopent-1-en-1-yl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-14-10-13-17(20)16(14)12-11-15(19)8-6-4-3-5-7-9-18(21)22/h11-12,15,19H,2-10,13H2,1H3,(H,21,22)/b12-11+/t15-/m1/s1
inchikey: FBBJRRDLBWJGIR-AYJWMTRPSA-N
monoisotopicmass: 3.08198761E2
label: ent-9-B1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_173173
abbrev: FA 18:4;O2

16-L1-PhytoP
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-15(19)11-12-16-14(10-13-17(16)20)8-6-4-3-5-7-9-18(21)22/h11-12,14-16,19H,2-10,13H2,1H3,(H,21,22)/b12-11+/t14-,15+,16-/m1/s1
inchikey: PKRZLEANFJWLEJ-PHMYGAEPSA-N
monoisotopicmass: 3.10214411E2
label: 8-((1R,2S)-2-((S,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_186711
abbrev: FA 18:3;O2

8-((1S,2R)-2-((R,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-2-15(19)11-12-16-14(10-13-17(16)20)8-6-4-3-5-7-9-18(21)22/h11-12,14-16,19H,2-10,13H2,1H3,(H,21,22)/b12-11+/t14-,15+,16-/m0/s1
inchikey: PKRZLEANFJWLEJ-KNJMEOKNSA-N
monoisotopicmass: 3.10214411E2
label: ent-16-L1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_187174
abbrev: FA 18:3;O2

(S,E)-11-((1R,2S,5S)-2-ethyl-5-hydroxy-3-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,17-/m0/s1
inchikey: GEVZHBGQVSRMPD-PFFORAAHSA-N
monoisotopicmass: 3.26209326E2
label: 9-D1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

(R,E)-11-((1R,2S,5S)-2-ethyl-5-hydroxy-3-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,17+/m1/s1
inchikey: GEVZHBGQVSRMPD-NJDACJFHSA-N
monoisotopicmass: 3.26209326E2
label: 9-epi-9-D1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

(R,E)-11-((1R,2S,5R)-2-ethyl-5-hydroxy-3-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,17-/m1/s1
inchikey: GEVZHBGQVSRMPD-FTTRANEHSA-N
monoisotopicmass: 3.26209326E2
label: ent-9-D1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

(S,E)-11-((1R,2S,5R)-2-ethyl-5-hydroxy-3-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,17+/m0/s1
inchikey: GEVZHBGQVSRMPD-WFRUSHSBSA-N
monoisotopicmass: 3.26209326E2
label: ent-9-epi-9-D1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

(R,E)-11-((1S,2R,5R)-2-ethyl-5-hydroxy-3-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,17-/m1/s1
inchikey: GEVZHBGQVSRMPD-LABPDDDBSA-N
monoisotopicmass: 3.26209326E2
label: ent-9-D1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

(S,E)-11-((1S,2R,5R)-2-ethyl-5-hydroxy-3-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,17+/m0/s1
inchikey: GEVZHBGQVSRMPD-QCOBPWGVSA-N
monoisotopicmass: 3.26209326E2
label: ent-9-epi-9-D1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

16-D1t-PhytoP
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-/m0/s1
inchikey: MUKVIZSNYWHGCM-LCKQXSNRSA-N
monoisotopicmass: 3.26209326E2
label: 8-((1S,2R,5S)-5-hydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

16-epi-16-D1t-PhytoP
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+/m1/s1
inchikey: MUKVIZSNYWHGCM-SPJBOHPHSA-N
monoisotopicmass: 3.26209326E2
label: 8-((1S,2R,5S)-5-hydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_185645
abbrev: FA 18:3;O3

16-D1c-PhytoP
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-/m0/s1
inchikey: MUKVIZSNYWHGCM-VOZKXJOMSA-N
monoisotopicmass: 3.26209326E2
label: 8-((1R,2S,5S)-5-hydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_197248
abbrev: FA 18:3;O3

16-epi-16-D1c-PhytoP
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+/m1/s1
inchikey: MUKVIZSNYWHGCM-ZOWXXZPRSA-N
monoisotopicmass: 3.26209326E2
label: 8-((1R,2S,5S)-5-hydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

8-((1S,2R,5R)-5-hydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-/m1/s1
inchikey: MUKVIZSNYWHGCM-OCCLABFMSA-N
monoisotopicmass: 3.26209326E2
label: ent-16-D1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

8-((1S,2R,5R)-5-hydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+/m0/s1
inchikey: MUKVIZSNYWHGCM-YXMOKRPYSA-N
monoisotopicmass: 3.26209326E2
label: ent-16-epi-16-D1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

8-((1R,2S,5R)-5-hydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+/m0/s1
inchikey: MUKVIZSNYWHGCM-DSFAMBPESA-N
monoisotopicmass: 3.26209326E2
label: ent-16-epi-16-D1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

8-((1R,2S,5R)-5-hydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)-3-oxocyclopentyl)octanoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-/m1/s1
inchikey: MUKVIZSNYWHGCM-QIGSULPKSA-N
monoisotopicmass: 3.26209326E2
label: ent-16-D1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

(S,E)-11-((1S,2R,3R)-2-ethyl-3-hydroxy-5-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+/m0/s1
inchikey: HPKXZPJOBRJOHF-DSFAMBPESA-N
monoisotopicmass: 3.26209326E2
label: 9-E1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_187202
abbrev: FA 18:3;O3

(R,E)-11-((1S,2R,3R)-2-ethyl-3-hydroxy-5-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-/m1/s1
inchikey: HPKXZPJOBRJOHF-QIGSULPKSA-N
monoisotopicmass: 3.26209326E2
label: 9-epi-9-E1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

(S,E)-11-((1R,2S,3R)-2-ethyl-3-hydroxy-5-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+/m0/s1
inchikey: HPKXZPJOBRJOHF-YXMOKRPYSA-N
monoisotopicmass: 3.26209326E2
label: 9-E1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

(R,E)-11-((1R,2S,3R)-2-ethyl-3-hydroxy-5-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-/m1/s1
inchikey: HPKXZPJOBRJOHF-OCCLABFMSA-N
monoisotopicmass: 3.26209326E2
label: 9-epi-9-E1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

(R,E)-11-((1R,2S,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+/m1/s1
inchikey: HPKXZPJOBRJOHF-SPJBOHPHSA-N
monoisotopicmass: 3.26209326E2
label: ent-9-E1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

(S,E)-11-((1R,2S,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-/m0/s1
inchikey: HPKXZPJOBRJOHF-LCKQXSNRSA-N
monoisotopicmass: 3.26209326E2
label: ent-9-epi-9-E1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

(R,E)-11-((1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+/m1/s1
inchikey: HPKXZPJOBRJOHF-ZOWXXZPRSA-N
monoisotopicmass: 3.26209326E2
label: ent-9-E1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

(S,E)-11-((1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-/m0/s1
inchikey: HPKXZPJOBRJOHF-VOZKXJOMSA-N
monoisotopicmass: 3.26209326E2
label: ent-9-epi-9-E1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

16-E1t-PhytoP
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,17+/m0/s1
inchikey: PLXNUXTXNUIUNK-WFRUSHSBSA-N
monoisotopicmass: 3.26209326E2
label: 8-((1S,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_196994
abbrev: FA 18:3;O3

16-epi-16-E1t-PhytoP
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,17-/m1/s1
inchikey: PLXNUXTXNUIUNK-FTTRANEHSA-N
monoisotopicmass: 3.26209326E2
label: 8-((1S,2R,3R)-3-hydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_197277
abbrev: FA 18:3;O3

16-E1c-PhytoP
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,17+/m0/s1
inchikey: PLXNUXTXNUIUNK-QCOBPWGVSA-N
monoisotopicmass: 3.26209326E2
label: 8-((1R,2S,3R)-3-hydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_197032
abbrev: FA 18:3;O3

16-epi-16-E1c-PhytoP
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,17-/m1/s1
inchikey: PLXNUXTXNUIUNK-LABPDDDBSA-N
monoisotopicmass: 3.26209326E2
label: 8-((1R,2S,3R)-3-hydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

8-((1S,2R,3S)-3-hydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopentyl)octanoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,17+/m1/s1
inchikey: PLXNUXTXNUIUNK-NJDACJFHSA-N
monoisotopicmass: 3.26209326E2
label: ent-16-E1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

8-((1S,2R,3S)-3-hydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopentyl)octanoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,17-/m0/s1
inchikey: PLXNUXTXNUIUNK-PFFORAAHSA-N
monoisotopicmass: 3.26209326E2
label: ent-16-epi-16-E1c-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

8-((1R,2S,3S)-3-hydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopentyl)octanoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,17-/m0/s1
inchikey: PLXNUXTXNUIUNK-DYRILWCESA-N
monoisotopicmass: 3.26209326E2
label: ent-16-epi-16-E1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

8-((1R,2S,3S)-3-hydroxy-2-((R,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopentyl)octanoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,17+/m1/s1
inchikey: PLXNUXTXNUIUNK-DOWCJKKCSA-N
monoisotopicmass: 3.26209326E2
label: ent-16-E1t-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

16-A1-PhytoP
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-10+/t14-,15-,16-/m0/s1
inchikey: OXXJZDJLYSMGIQ-IQDGFBTQSA-N
monoisotopicmass: 3.08198761E2
label: 8-((1S,2S)-2-((S,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopent-3-en-1-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:4;O2

16-epi-16-A1-PhytoP
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-10+/t14-,15+,16-/m0/s1
inchikey: OXXJZDJLYSMGIQ-SQNCARSOSA-N
monoisotopicmass: 3.08198761E2
label: 8-((1S,2S)-2-((R,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopent-3-en-1-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:4;O2

(S,E)-11-((1S,2S)-2-ethyl-5-oxocyclopent-3-en-1-yl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-14-10-13-17(20)16(14)12-11-15(19)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-11+/t14-,15-,16-/m0/s1
inchikey: GSIHBOIIJFLKIL-LCSYVEKBSA-N
monoisotopicmass: 3.08198761E2
label: 9-A1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:4;O2

(R,E)-11-((1S,2S)-2-ethyl-5-oxocyclopent-3-en-1-yl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-14-10-13-17(20)16(14)12-11-15(19)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-11+/t14-,15+,16-/m0/s1
inchikey: GSIHBOIIJFLKIL-KNJMEOKNSA-N
monoisotopicmass: 3.08198761E2
label: 9-epi-9-A1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:4;O2

8-((1R,2R)-2-((R,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopent-3-en-1-yl)octanoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-10+/t14-,15-,16-/m1/s1
inchikey: OXXJZDJLYSMGIQ-UXVGIFLJSA-N
monoisotopicmass: 3.08198761E2
label: ent-16-A1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:4;O2

8-((1R,2R)-2-((S,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopent-3-en-1-yl)octanoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-10+/t14-,15+,16-/m1/s1
inchikey: OXXJZDJLYSMGIQ-BKAHTCAJSA-N
monoisotopicmass: 3.08198761E2
label: ent-16-epi-16-A1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:4;O2

(R,E)-11-((1R,2R)-2-ethyl-5-oxocyclopent-3-en-1-yl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-14-10-13-17(20)16(14)12-11-15(19)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-11+/t14-,15-,16-/m1/s1
inchikey: GSIHBOIIJFLKIL-DJVMPUSXSA-N
monoisotopicmass: 3.08198761E2
label: ent-9-A1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_192965
abbrev: FA 18:4;O2

(S,E)-11-((1R,2R)-2-ethyl-5-oxocyclopent-3-en-1-yl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-14-10-13-17(20)16(14)12-11-15(19)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-11+/t14-,15+,16-/m1/s1
inchikey: GSIHBOIIJFLKIL-PHMYGAEPSA-N
monoisotopicmass: 3.08198761E2
label: ent-9-epi-9-A1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:4;O2

16-J1-PhytoP
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-15(19)11-12-16-14(10-13-17(16)20)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-11+/t14-,15+,16-/m1/s1
inchikey: FWGSZKXOWWJSMJ-PHMYGAEPSA-N
monoisotopicmass: 3.08198761E2
label: 8-((1R,5R)-5-((S,E)-3-hydroxypent-1-en-1-yl)-4-oxocyclopent-2-en-1-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_186787
abbrev: FA 18:4;O2

16-epi-16-J1-PhytoP
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-15(19)11-12-16-14(10-13-17(16)20)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-11+/t14-,15-,16-/m1/s1
inchikey: FWGSZKXOWWJSMJ-DJVMPUSXSA-N
monoisotopicmass: 3.08198761E2
label: 8-((1R,5R)-5-((R,E)-3-hydroxypent-1-en-1-yl)-4-oxocyclopent-2-en-1-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_187224
abbrev: FA 18:4;O2

(S,E)-11-((1R,5R)-5-ethyl-4-oxocyclopent-2-en-1-yl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-16-14(11-13-17(16)20)10-12-15(19)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-10+/t14-,15+,16-/m1/s1
inchikey: MYTDGCAXWORFIK-BKAHTCAJSA-N
monoisotopicmass: 3.08198761E2
label: 9-J1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:4;O2

(R,E)-11-((1R,5R)-5-ethyl-4-oxocyclopent-2-en-1-yl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-16-14(11-13-17(16)20)10-12-15(19)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-10+/t14-,15-,16-/m1/s1
inchikey: MYTDGCAXWORFIK-UXVGIFLJSA-N
monoisotopicmass: 3.08198761E2
label: 9-epi-9-J1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_168808
abbrev: FA 18:4;O2

8-((1S,5S)-5-((R,E)-3-hydroxypent-1-en-1-yl)-4-oxocyclopent-2-en-1-yl)octanoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-15(19)11-12-16-14(10-13-17(16)20)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-11+/t14-,15+,16-/m0/s1
inchikey: FWGSZKXOWWJSMJ-KNJMEOKNSA-N
monoisotopicmass: 3.08198761E2
label: ent-16-J1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_197209
abbrev: FA 18:4;O2

8-((1S,5S)-5-((S,E)-3-hydroxypent-1-en-1-yl)-4-oxocyclopent-2-en-1-yl)octanoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-15(19)11-12-16-14(10-13-17(16)20)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-11+/t14-,15-,16-/m0/s1
inchikey: FWGSZKXOWWJSMJ-LCSYVEKBSA-N
monoisotopicmass: 3.08198761E2
label: ent-16-epi-16-J1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_168478
abbrev: FA 18:4;O2

(R,E)-11-((1S,5S)-5-ethyl-4-oxocyclopent-2-en-1-yl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-16-14(11-13-17(16)20)10-12-15(19)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-10+/t14-,15+,16-/m0/s1
inchikey: MYTDGCAXWORFIK-SQNCARSOSA-N
monoisotopicmass: 3.08198761E2
label: ent-9-J1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
equivalent class: CHEBI_169720
abbrev: FA 18:4;O2

(S,E)-11-((1S,5S)-5-ethyl-4-oxocyclopent-2-en-1-yl)-9-hydroxyundec-10-enoic acid
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-16-14(11-13-17(16)20)10-12-15(19)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-10+/t14-,15-,16-/m0/s1
inchikey: MYTDGCAXWORFIK-IQDGFBTQSA-N
monoisotopicmass: 3.08198761E2
label: ent-9-epi-9-J1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:4;O2

Callicarboric acid A
type: Class
formula: C19H28O4
inchi: InChI=1S/C19H28O4/c1-3-9-16(20)14-17-15(12-13-18(17)21)10-7-5-4-6-8-11-19(22)23-2/h3,9,12-13,15,17H,4-8,10-11,14H2,1-2H3/b9-3+/t15-,17-/m1/s1
inchikey: NQBKYDBKVLTDIR-PBAYLPGOSA-N
monoisotopicmass: 3.20198761E2
label: Methyl (1R,2R)-4-oxo-5-(2-oxo-3E-pentenyl)-2-cyclopentene-1-octanoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10203
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 19:5;O2

Callicarboric acid B
type: Class
formula: C17H26O5
inchi: InChI=1S/C17H26O5/c1-21-16(19)9-7-5-3-4-6-8-13-10-11-15(18)14(13)12-17(20)22-2/h10-11,13-14H,3-9,12H2,1-2H3/t13-,14+/m0/s1
inchikey: ISUPWPSZKSODJO-UONOGXRCSA-N
monoisotopicmass: 3.10178025E2
label: Methyl (1S,2R)-4-oxo-5-(methyl acetoyl)-2-cyclopentene-1-octanoate
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10203
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 17:4;O3

16-F2t-PhytoP-SDA
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h4,6,10-11,13-17,19-21H,2-3,5,7-9,12H2,1H3,(H,22,23)/b6-4-,11-10+/t13-,14-,15+,16-,17+/m0/s1
inchikey: WPYNPAZYDBOAMW-IRUIDWBOSA-N
monoisotopicmass: 3.26209326E2
label: 8-((1S,2S,3R,5R)-3,5-dihydroxy-2-(3S-hydroxypent-1E-en-1-yl)cyclopentyl)-6Z-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

6-F2t-PhytoP-SDA
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-4-8-14-15(17(21)12-16(14)20)11-10-13(19)7-5-6-9-18(22)23/h3-4,10-11,13-17,19-21H,2,5-9,12H2,1H3,(H,22,23)/b4-3-,11-10+/t13-,14+,15-,16+,17-/m0/s1
inchikey: PXIILOMORTWZJX-QHFXNTHNSA-N
monoisotopicmass: 3.26209326E2
label: 8-((1S,2S,3R,5R)-3,5-dihydroxy-2-(pent-2Z-en-1-yl)cyclopentyl)-6S-hydroxy-7E-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:3;O3

6-F1t-PhytoP-GLA
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-4-8-14-15(17(21)12-16(14)20)11-10-13(19)7-5-6-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m0/s1
inchikey: ZUCQQDWMKLKHRF-KYFQLVDCSA-N
monoisotopicmass: 3.28224976E2
label: 8-((1S,2S,3R,5R)-3,5-dihydroxy-2-(pentan-1-yl)cyclopentyl)-6S-hydroxy-7E-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

16-F1t-PhytoP-C19
type: Class
formula: C19H34O5
inchi: InChI=1S/C19H34O5/c1-2-8-14(20)11-12-16-15(17(21)13-18(16)22)9-6-4-3-5-7-10-19(23)24/h11-12,14-18,20-22H,2-10,13H2,1H3,(H,23,24)/b12-11+/t14-,15-,16+,17-,18+/m0/s1
inchikey: CVAYDYTZGXEEDY-LLHHILMCSA-N
monoisotopicmass: 3.42240626E2
label: 8-((1S,2R,3R,5S)-3,5-dihydroxy-2-((E)-3-hydroxyhex-1-en-1-yl)cyclopentyl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 19:2;O3

(E)-11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9-oxoundec-10-enoic acid
type: Class
formula: C18H26O4
inchi: InChI=1S/C18H26O4/c1-2-16-14(11-13-17(16)20)10-12-15(19)8-6-4-3-5-7-9-18(21)22/h10,12H,2-9,11,13H2,1H3,(H,21,22)/b12-10+
inchikey: PXGMFSNQBZFVIR-ZRDIBKRKSA-N
monoisotopicmass: 3.0618311E2
label: 9-keto-9-L1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:5;O2

(E)-8-(5-oxo-2-(3-oxopent-1-en-1-yl)cyclopent-1-en-1-yl)octanoic acid
type: Class
formula: C18H26O4
inchi: InChI=1S/C18H26O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10,12H,2-9,11,13H2,1H3,(H,21,22)/b12-10+
inchikey: KPWZUIKRIDBRAR-ZRDIBKRKSA-N
monoisotopicmass: 3.0618311E2
label: 16-keto-16-B1-PhytoP
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:5;O2

6(B)-epi-F1t-PhytoP
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-4-8-14-15(17(21)12-16(14)20)11-10-13(19)7-5-6-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m1/s1
inchikey: ZUCQQDWMKLKHRF-DDGADJJWSA-N
monoisotopicmass: 3.28224976E2
label: 8-((1S,2S,3R,5R)-3,5-dihydroxy-2-(pentan-1-yl)cyclopentyl)-6R-hydroxy-7E-octenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10203
abbrev: FA 18:2;O3

(E)-12-(5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+
inchikey: LWIIWULNZCFOCA-ZHACJKMWSA-N
monoisotopicmass: 3.44219891E2
label: delta10-13-PhytoF
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_183633
abbrev: FA 18:2;O4

(E)-9-hydroxy-11-(3-hydroxy-5-(1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+
inchikey: BHWUKOCNOLCGLB-ZHACJKMWSA-N
monoisotopicmass: 3.44219891E2
label: delta10-12-PhytoF
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_183578
abbrev: FA 18:2;O4

(E)-8-(5-(1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+
inchikey: XSSRKBRTVPNAMX-ZHACJKMWSA-N
monoisotopicmass: 3.44219891E2
label: delta14-9-PhytoF
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_193379
abbrev: FA 18:2;O4

(E)-9-hydroxy-9-(4-hydroxy-5-(3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+
inchikey: ABMOBHDJIUJCNP-ZHACJKMWSA-N
monoisotopicmass: 3.44219891E2
label: delta14-10-PhytoF
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_173186
abbrev: FA 18:2;O4

(9R,12R,15R)-d10-13-PhytoF[13R,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17-/m1/s1
inchikey: LWIIWULNZCFOCA-PCYDWSPDSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12R,E)-12-((2R,4R,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12R,15R)-d10-13-PhytoF[13R,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17-/m1/s1
inchikey: LWIIWULNZCFOCA-RQIUYOBUSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12R,E)-12-((2R,4R,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12R,15R)-d10-13-PhytoF[13S,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17+/m1/s1
inchikey: LWIIWULNZCFOCA-OOMQHELWSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12R,E)-12-((2S,4R,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12R,15R)-d10-13-PhytoF[13S,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17+/m1/s1
inchikey: LWIIWULNZCFOCA-SDBOAPILSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12R,E)-12-((2S,4R,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_186254
abbrev: FA 18:2;O4

(9R,12R,15S)-d10-13-PhytoF[13R,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17-/m1/s1
inchikey: LWIIWULNZCFOCA-GLGSPFTASA-N
monoisotopicmass: 3.44219891E2
label: (9R,12R,E)-12-((2R,4S,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12R,15S)-d10-13-PhytoF[13R,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m1/s1
inchikey: LWIIWULNZCFOCA-OEPZKWLOSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12R,E)-12-((2R,4S,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_185336
abbrev: FA 18:2;O4

(9R,12R,15S)-d10-13-PhytoF[13S,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m1/s1
inchikey: LWIIWULNZCFOCA-DDGADJJWSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12R,E)-12-((2S,4S,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12R,15S)-d10-13-PhytoF[13S,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17+/m1/s1
inchikey: LWIIWULNZCFOCA-WBWYXKPPSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12R,E)-12-((2S,4S,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_186164
abbrev: FA 18:2;O4

(9R,12S,15R)-d10-13-PhytoF[13R,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17-/m1/s1
inchikey: LWIIWULNZCFOCA-HSWGLUGASA-N
monoisotopicmass: 3.44219891E2
label: (9R,12S,E)-12-((2R,4R,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_186181
abbrev: FA 18:2;O4

(9R,12S,15R)-d10-13-PhytoF[13R,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m1/s1
inchikey: LWIIWULNZCFOCA-ZRMZGJFNSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12S,E)-12-((2R,4R,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,15R)-d10-13-PhytoF[13S,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17+/m1/s1
inchikey: LWIIWULNZCFOCA-GQJJRBOXSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12S,E)-12-((2S,4R,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,15R)-d10-13-PhytoF[13S,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17+/m1/s1
inchikey: LWIIWULNZCFOCA-DYVZBPGMSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12S,E)-12-((2S,4R,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,15S)-d10-13-PhytoF[13R,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17-/m1/s1
inchikey: LWIIWULNZCFOCA-KUPMKIAMSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12S,E)-12-((2R,4S,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,15S)-d10-13-PhytoF[13R,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17-/m1/s1
inchikey: LWIIWULNZCFOCA-NIIQMBQNSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12S,E)-12-((2R,4S,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,15S)-d10-13-PhytoF[13S,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17+/m1/s1
inchikey: LWIIWULNZCFOCA-XMSWIMNKSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12S,E)-12-((2S,4S,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,15S)-d10-13-PhytoF[13S,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17+/m1/s1
inchikey: LWIIWULNZCFOCA-CXPZKCCLSA-N
monoisotopicmass: 3.44219891E2
label: (9R,12S,E)-12-((2S,4S,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,15R)-d10-13-PhytoF[13R,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17+/m0/s1
inchikey: LWIIWULNZCFOCA-UGXGUJROSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12R,E)-12-((2R,4R,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,15R)-d10-13-PhytoF[13R,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17+/m0/s1
inchikey: LWIIWULNZCFOCA-IJKMCFRVSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12R,E)-12-((2R,4R,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,15R)-d10-13-PhytoF[13S,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17-/m0/s1
inchikey: LWIIWULNZCFOCA-GLSSZAEYSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12R,E)-12-((2S,4R,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,15R)-d10-13-PhytoF[13S,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17-/m0/s1
inchikey: LWIIWULNZCFOCA-IEEZOGEBSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12R,E)-12-((2S,4R,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,15S)-d10-13-PhytoF[13R,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17+/m0/s1
inchikey: LWIIWULNZCFOCA-PKITZMDPSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12R,E)-12-((2R,4S,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,15S)-d10-13-PhytoF[13R,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17+/m0/s1
inchikey: LWIIWULNZCFOCA-JMADBNKSSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12R,E)-12-((2R,4S,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,15S)-d10-13-PhytoF[13S,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m0/s1
inchikey: LWIIWULNZCFOCA-KYFQLVDCSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12R,E)-12-((2S,4S,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,15S)-d10-13-PhytoF[13S,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17-/m0/s1
inchikey: LWIIWULNZCFOCA-YEOJZBBXSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12R,E)-12-((2S,4S,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,15R)-d10-13-PhytoF[13R,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17+/m0/s1
inchikey: LWIIWULNZCFOCA-HTGZZSSVSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12S,E)-12-((2R,4R,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_186703
abbrev: FA 18:2;O4

(9S,12S,15R)-d10-13-PhytoF[13R,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m0/s1
inchikey: LWIIWULNZCFOCA-RLDLTEIJSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12S,E)-12-((2R,4R,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,15R)-d10-13-PhytoF[13S,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m0/s1
inchikey: LWIIWULNZCFOCA-HKTSXOKBSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12S,E)-12-((2S,4R,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,15R)-d10-13-PhytoF[13S,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17-/m0/s1
inchikey: LWIIWULNZCFOCA-HURARBKOSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12S,E)-12-((2S,4R,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,15S)-d10-13-PhytoF[13R,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17+/m0/s1
inchikey: LWIIWULNZCFOCA-QYLYFVOLSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12S,E)-12-((2R,4S,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,15S)-d10-13-PhytoF[13R,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17+/m0/s1
inchikey: LWIIWULNZCFOCA-UGFFRSGUSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12S,E)-12-((2R,4S,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,15S)-d10-13-PhytoF[13S,16R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17-/m0/s1
inchikey: LWIIWULNZCFOCA-PBPVBRRBSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12S,E)-12-((2S,4S,5R)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,15S)-d10-13-PhytoF[13S,16S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17-/m0/s1
inchikey: LWIIWULNZCFOCA-OAEUSZHOSA-N
monoisotopicmass: 3.44219891E2
label: (9S,12S,E)-12-((2S,4S,5S)-5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13R,16R)-d10-12-PhytoF[12S,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17+/m1/s1
inchikey: BHWUKOCNOLCGLB-SDBOAPILSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2S,3R,5S)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_184765
abbrev: FA 18:2;O4

(9R,13R,16R)-d10-12-PhytoF[12S,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17-/m1/s1
inchikey: BHWUKOCNOLCGLB-RQIUYOBUSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2S,3R,5R)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_184803
abbrev: FA 18:2;O4

(9R,13R,16R)-d10-12-PhytoF[12R,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17+/m1/s1
inchikey: BHWUKOCNOLCGLB-OOMQHELWSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2R,3R,5S)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13R,16R)-d10-12-PhytoF[12R,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17-/m1/s1
inchikey: BHWUKOCNOLCGLB-PCYDWSPDSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2R,3R,5R)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13R,16S)-d10-12-PhytoF[12S,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17+/m1/s1
inchikey: BHWUKOCNOLCGLB-DYVZBPGMSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2S,3R,5S)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13R,16S)-d10-12-PhytoF[12S,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m1/s1
inchikey: BHWUKOCNOLCGLB-ZRMZGJFNSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2S,3R,5R)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13R,16S)-d10-12-PhytoF[12R,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17+/m1/s1
inchikey: BHWUKOCNOLCGLB-GQJJRBOXSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2R,3R,5S)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13R,16S)-d10-12-PhytoF[12R,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17-/m1/s1
inchikey: BHWUKOCNOLCGLB-HSWGLUGASA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2R,3R,5R)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_184745
abbrev: FA 18:2;O4

(9R,13S,16R)-d10-12-PhytoF[12S,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17+/m1/s1
inchikey: BHWUKOCNOLCGLB-WBWYXKPPSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2S,3S,5S)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13S,16R)-d10-12-PhytoF[12S,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m1/s1
inchikey: BHWUKOCNOLCGLB-OEPZKWLOSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2S,3S,5R)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13S,16R)-d10-12-PhytoF[12R,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m1/s1
inchikey: BHWUKOCNOLCGLB-DDGADJJWSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2R,3S,5S)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13S,16R)-d10-12-PhytoF[12R,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17-/m1/s1
inchikey: BHWUKOCNOLCGLB-GLGSPFTASA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2R,3S,5R)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13S,16S)-d10-12-PhytoF[12S,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17+/m1/s1
inchikey: BHWUKOCNOLCGLB-CXPZKCCLSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2S,3S,5S)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13S,16S)-d10-12-PhytoF[12S,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17-/m1/s1
inchikey: BHWUKOCNOLCGLB-NIIQMBQNSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2S,3S,5R)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13S,16S)-d10-12-PhytoF[12R,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17+/m1/s1
inchikey: BHWUKOCNOLCGLB-XMSWIMNKSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2R,3S,5S)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,13S,16S)-d10-12-PhytoF[12R,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17-/m1/s1
inchikey: BHWUKOCNOLCGLB-KUPMKIAMSA-N
monoisotopicmass: 3.44219891E2
label: (R,E)-9-hydroxy-11-((2R,3S,5R)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13R,16R)-d10-12-PhytoF[12S,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17-/m0/s1
inchikey: BHWUKOCNOLCGLB-IEEZOGEBSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2S,3R,5S)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13R,16R)-d10-12-PhytoF[12S,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17+/m0/s1
inchikey: BHWUKOCNOLCGLB-IJKMCFRVSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2S,3R,5R)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13R,16R)-d10-12-PhytoF[12R,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17-/m0/s1
inchikey: BHWUKOCNOLCGLB-GLSSZAEYSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2R,3R,5S)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13R,16R)-d10-12-PhytoF[12R,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17+/m0/s1
inchikey: BHWUKOCNOLCGLB-UGXGUJROSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2R,3R,5R)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13R,16S)-d10-12-PhytoF[12S,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17-/m0/s1
inchikey: BHWUKOCNOLCGLB-HURARBKOSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2S,3R,5S)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13R,16S)-d10-12-PhytoF[12S,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m0/s1
inchikey: BHWUKOCNOLCGLB-RLDLTEIJSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2S,3R,5R)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13R,16S)-d10-12-PhytoF[12R,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m0/s1
inchikey: BHWUKOCNOLCGLB-HKTSXOKBSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2R,3R,5S)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13R,16S)-d10-12-PhytoF[12R,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17+/m0/s1
inchikey: BHWUKOCNOLCGLB-HTGZZSSVSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2R,3R,5R)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13S,16R)-d10-12-PhytoF[12S,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17-/m0/s1
inchikey: BHWUKOCNOLCGLB-YEOJZBBXSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2S,3S,5S)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13S,16R)-d10-12-PhytoF[12S,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17+/m0/s1
inchikey: BHWUKOCNOLCGLB-JMADBNKSSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2S,3S,5R)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13S,16R)-d10-12-PhytoF[12R,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m0/s1
inchikey: BHWUKOCNOLCGLB-KYFQLVDCSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2R,3S,5S)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13S,16R)-d10-12-PhytoF[12R,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17+/m0/s1
inchikey: BHWUKOCNOLCGLB-PKITZMDPSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2R,3S,5R)-3-hydroxy-5-((R)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13S,16S)-d10-12-PhytoF[12S,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17-/m0/s1
inchikey: BHWUKOCNOLCGLB-OAEUSZHOSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2S,3S,5S)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13S,16S)-d10-12-PhytoF[12S,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17+/m0/s1
inchikey: BHWUKOCNOLCGLB-UGFFRSGUSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2S,3S,5R)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13S,16S)-d10-12-PhytoF[12R,15S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17-/m0/s1
inchikey: BHWUKOCNOLCGLB-PBPVBRRBSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2R,3S,5S)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,13S,16S)-d10-12-PhytoF[12R,15R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-14(20)17-12-15(21)16(24-17)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17+/m0/s1
inchikey: BHWUKOCNOLCGLB-QYLYFVOLSA-N
monoisotopicmass: 3.44219891E2
label: (S,E)-9-hydroxy-11-((2R,3S,5R)-3-hydroxy-5-((S)-1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13R,16R)-d14-9-PhytoF[9S,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17+/m1/s1
inchikey: XSSRKBRTVPNAMX-SDBOAPILSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3R,5S)-5-((1R,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13R,16R)-d14-9-PhytoF[9S,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17-/m1/s1
inchikey: XSSRKBRTVPNAMX-RQIUYOBUSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3R,5R)-5-((1R,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13R,16R)-d14-9-PhytoF[9R,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17+/m1/s1
inchikey: XSSRKBRTVPNAMX-OOMQHELWSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3R,5S)-5-((1R,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13R,16R)-d14-9-PhytoF[9R,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17-/m1/s1
inchikey: XSSRKBRTVPNAMX-PCYDWSPDSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3R,5R)-5-((1R,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13R,16S)-d14-9-PhytoF[9S,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17-/m0/s1
inchikey: XSSRKBRTVPNAMX-IEEZOGEBSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3R,5S)-5-((1R,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13R,16S)-d14-9-PhytoF[9S,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17+/m0/s1
inchikey: XSSRKBRTVPNAMX-IJKMCFRVSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3R,5R)-5-((1R,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13R,16S)-d14-9-PhytoF[9R,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17-/m0/s1
inchikey: XSSRKBRTVPNAMX-GLSSZAEYSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3R,5S)-5-((1R,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13R,16S)-d14-9-PhytoF[9R,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17+/m0/s1
inchikey: XSSRKBRTVPNAMX-UGXGUJROSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3R,5R)-5-((1R,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13S,16R)-d14-9-PhytoF[9S,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17+/m1/s1
inchikey: XSSRKBRTVPNAMX-DYVZBPGMSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3R,5S)-5-((1S,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13S,16R)-d14-9-PhytoF[9S,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m1/s1
inchikey: XSSRKBRTVPNAMX-ZRMZGJFNSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3R,5R)-5-((1S,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13S,16R)-d14-9-PhytoF[9R,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17+/m1/s1
inchikey: XSSRKBRTVPNAMX-GQJJRBOXSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3R,5S)-5-((1S,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13S,16R)-d14-9-PhytoF[9R,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17-/m1/s1
inchikey: XSSRKBRTVPNAMX-HSWGLUGASA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3R,5R)-5-((1S,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13S,16S)-d14-9-PhytoF[9S,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17-/m0/s1
inchikey: XSSRKBRTVPNAMX-HURARBKOSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3R,5S)-5-((1S,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13S,16S)-d14-9-PhytoF[9S,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m0/s1
inchikey: XSSRKBRTVPNAMX-RLDLTEIJSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3R,5R)-5-((1S,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10R,13S,16S)-d14-9-PhytoF[9R,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m0/s1
inchikey: XSSRKBRTVPNAMX-HKTSXOKBSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3R,5S)-5-((1S,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_186952
abbrev: FA 18:2;O4

(10R,13S,16S)-d14-9-PhytoF[9R,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17+/m0/s1
inchikey: XSSRKBRTVPNAMX-HTGZZSSVSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3R,5R)-5-((1S,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13R,16R)-d14-9-PhytoF[9S,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17+/m1/s1
inchikey: XSSRKBRTVPNAMX-WBWYXKPPSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3S,5S)-5-((1R,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_185364
abbrev: FA 18:2;O4

(10S,13R,16R)-d14-9-PhytoF[9S,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m1/s1
inchikey: XSSRKBRTVPNAMX-OEPZKWLOSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3S,5R)-5-((1R,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13R,16R)-d14-9-PhytoF[9R,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m1/s1
inchikey: XSSRKBRTVPNAMX-DDGADJJWSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3S,5S)-5-((1R,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13R,16R)-d14-9-PhytoF[9R,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17-/m1/s1
inchikey: XSSRKBRTVPNAMX-GLGSPFTASA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3S,5R)-5-((1R,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13R,16S)-d14-9-PhytoF[9S,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17-/m0/s1
inchikey: XSSRKBRTVPNAMX-YEOJZBBXSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3S,5S)-5-((1R,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13R,16S)-d14-9-PhytoF[9S,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17+/m0/s1
inchikey: XSSRKBRTVPNAMX-JMADBNKSSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3S,5R)-5-((1R,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13R,16S)-d14-9-PhytoF[9R,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m0/s1
inchikey: XSSRKBRTVPNAMX-KYFQLVDCSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3S,5S)-5-((1R,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13R,16S)-d14-9-PhytoF[9R,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17+/m0/s1
inchikey: XSSRKBRTVPNAMX-PKITZMDPSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3S,5R)-5-((1R,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13S,16R)-d14-9-PhytoF[9S,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17+/m1/s1
inchikey: XSSRKBRTVPNAMX-CXPZKCCLSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3S,5S)-5-((1S,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13S,16R)-d14-9-PhytoF[9S,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17-/m1/s1
inchikey: XSSRKBRTVPNAMX-NIIQMBQNSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3S,5R)-5-((1S,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13S,16R)-d14-9-PhytoF[9R,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17+/m1/s1
inchikey: XSSRKBRTVPNAMX-XMSWIMNKSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3S,5S)-5-((1S,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13S,16R)-d14-9-PhytoF[9R,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17-/m1/s1
inchikey: XSSRKBRTVPNAMX-KUPMKIAMSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3S,5R)-5-((1S,4R,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13S,16S)-d14-9-PhytoF[9S,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17-/m0/s1
inchikey: XSSRKBRTVPNAMX-OAEUSZHOSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3S,5S)-5-((1S,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13S,16S)-d14-9-PhytoF[9S,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17+/m0/s1
inchikey: XSSRKBRTVPNAMX-UGFFRSGUSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2S,3S,5R)-5-((1S,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13S,16S)-d14-9-PhytoF[9R,12S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17-/m0/s1
inchikey: XSSRKBRTVPNAMX-PBPVBRRBSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3S,5S)-5-((1S,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(10S,13S,16S)-d14-9-PhytoF[9R,12R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17+/m0/s1
inchikey: XSSRKBRTVPNAMX-QYLYFVOLSA-N
monoisotopicmass: 3.44219891E2
label: 8-((2R,3S,5R)-5-((1S,4S,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12R,16R)-d14-10-PhytoF[10R,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17-/m1/s1
inchikey: ABMOBHDJIUJCNP-PCYDWSPDSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2R,4R,5R)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12R,16R)-d14-10-PhytoF[10R,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17-/m1/s1
inchikey: ABMOBHDJIUJCNP-RQIUYOBUSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2R,4R,5S)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
equivalent class: CHEBI_187248
abbrev: FA 18:2;O4

(9R,12R,16R)-d14-10-PhytoF[10S,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17+/m1/s1
inchikey: ABMOBHDJIUJCNP-OOMQHELWSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2S,4R,5R)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12R,16R)-d14-10-PhytoF[10S,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17+/m1/s1
inchikey: ABMOBHDJIUJCNP-SDBOAPILSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2S,4R,5S)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12R,16S)-d14-10-PhytoF[10R,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17+/m0/s1
inchikey: ABMOBHDJIUJCNP-UGXGUJROSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2R,4R,5R)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12R,16S)-d14-10-PhytoF[10R,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17+/m0/s1
inchikey: ABMOBHDJIUJCNP-IJKMCFRVSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2R,4R,5S)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12R,16S)-d14-10-PhytoF[10S,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17-/m0/s1
inchikey: ABMOBHDJIUJCNP-GLSSZAEYSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2S,4R,5R)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12R,16S)-d14-10-PhytoF[10S,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17-/m0/s1
inchikey: ABMOBHDJIUJCNP-IEEZOGEBSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2S,4R,5S)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,16R)-d14-10-PhytoF[10R,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17-/m1/s1
inchikey: ABMOBHDJIUJCNP-GLGSPFTASA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2R,4S,5R)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,16R)-d14-10-PhytoF[10R,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m1/s1
inchikey: ABMOBHDJIUJCNP-OEPZKWLOSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2R,4S,5S)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,16R)-d14-10-PhytoF[10S,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m1/s1
inchikey: ABMOBHDJIUJCNP-DDGADJJWSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2S,4S,5R)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,16R)-d14-10-PhytoF[10S,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17+/m1/s1
inchikey: ABMOBHDJIUJCNP-WBWYXKPPSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2S,4S,5S)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,16S)-d14-10-PhytoF[10R,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17+/m0/s1
inchikey: ABMOBHDJIUJCNP-PKITZMDPSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2R,4S,5R)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,16S)-d14-10-PhytoF[10R,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17+/m0/s1
inchikey: ABMOBHDJIUJCNP-JMADBNKSSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2R,4S,5S)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,16S)-d14-10-PhytoF[10S,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m0/s1
inchikey: ABMOBHDJIUJCNP-KYFQLVDCSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2S,4S,5R)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9R,12S,16S)-d14-10-PhytoF[10S,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17-/m0/s1
inchikey: ABMOBHDJIUJCNP-YEOJZBBXSA-N
monoisotopicmass: 3.44219891E2
label: (R)-9-hydroxy-9-((2S,4S,5S)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,16R)-d14-10-PhytoF[10R,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17-/m1/s1
inchikey: ABMOBHDJIUJCNP-HSWGLUGASA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2R,4R,5R)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,16R)-d14-10-PhytoF[10R,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m1/s1
inchikey: ABMOBHDJIUJCNP-ZRMZGJFNSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2R,4R,5S)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,16R)-d14-10-PhytoF[10S,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16-,17+/m1/s1
inchikey: ABMOBHDJIUJCNP-GQJJRBOXSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2S,4R,5R)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,16R)-d14-10-PhytoF[10S,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17+/m1/s1
inchikey: ABMOBHDJIUJCNP-DYVZBPGMSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2S,4R,5S)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,16S)-d14-10-PhytoF[10R,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17+/m0/s1
inchikey: ABMOBHDJIUJCNP-HTGZZSSVSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2R,4R,5R)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,16S)-d14-10-PhytoF[10R,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m0/s1
inchikey: ABMOBHDJIUJCNP-RLDLTEIJSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2R,4R,5S)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,16S)-d14-10-PhytoF[10S,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+,17-/m0/s1
inchikey: ABMOBHDJIUJCNP-HKTSXOKBSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2S,4R,5R)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12R,16S)-d14-10-PhytoF[10S,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17-/m0/s1
inchikey: ABMOBHDJIUJCNP-HURARBKOSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2S,4R,5S)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,16R)-d14-10-PhytoF[10R,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17-/m1/s1
inchikey: ABMOBHDJIUJCNP-KUPMKIAMSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2R,4S,5R)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,16R)-d14-10-PhytoF[10R,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17-/m1/s1
inchikey: ABMOBHDJIUJCNP-NIIQMBQNSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2R,4S,5S)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,16R)-d14-10-PhytoF[10S,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17+/m1/s1
inchikey: ABMOBHDJIUJCNP-XMSWIMNKSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2S,4S,5R)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,16R)-d14-10-PhytoF[10S,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16+,17+/m1/s1
inchikey: ABMOBHDJIUJCNP-CXPZKCCLSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2S,4S,5S)-4-hydroxy-5-((R,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,16S)-d14-10-PhytoF[10R,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17+/m0/s1
inchikey: ABMOBHDJIUJCNP-QYLYFVOLSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2R,4S,5R)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,16S)-d14-10-PhytoF[10R,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17+/m0/s1
inchikey: ABMOBHDJIUJCNP-UGFFRSGUSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2R,4S,5S)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,16S)-d14-10-PhytoF[10S,13R]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16+,17-/m0/s1
inchikey: ABMOBHDJIUJCNP-PBPVBRRBSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2S,4S,5R)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9S,12S,16S)-d14-10-PhytoF[10S,13S]
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15-,16-,17-/m0/s1
inchikey: ABMOBHDJIUJCNP-OAEUSZHOSA-N
monoisotopicmass: 3.44219891E2
label: (S)-9-hydroxy-9-((2S,4S,5S)-4-hydroxy-5-((S,E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

8-((2R,3S,5R)-5-((1S,4,E)-1,4-dihydroxyhex-2-en-1-yl)-3-hydroxytetrahydrofuran-2-yl)octanoic acid
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-14(20)17-12-15(21)16(24-17)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13?,14-,15-,16+,17+/m0/s1
inchikey: XSSRKBRTVPNAMX-PTZPOEMYSA-N
monoisotopicmass: 3.44219891E2
label: ent16-(R,S)-13-epi-ST-delta14-9-PhytoF
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(S)-9-hydroxy-9-((2R,4S,5R)-4-hydroxy-5-((E)-3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13?,14-,15-,16+,17+/m0/s1
inchikey: ABMOBHDJIUJCNP-PTZPOEMYSA-N
monoisotopicmass: 3.44219891E2
label: ent_16_RS_9_epi_ST_D14_10_PhytoF
subclass of: https://www.lipidmaps.org/rdf/category/10204
abbrev: FA 18:2;O4

(9Z,11E)-12-((3S,5R)-5-((R)-1-hydroxypropyl)-1,2-dioxolan-3-yl)dodeca-9,11-dienoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-16(19)17-14-15(22-23-17)12-10-8-6-4-3-5-7-9-11-13-18(20)21/h6,8,10,12,15-17,19H,2-5,7,9,11,13-14H2,1H3,(H,20,21)/b8-6-,12-10+/t15-,16-,17-/m1/s1
inchikey: NHKZWYFRFFWLDJ-SCISLTCXSA-N
monoisotopicmass: 3.26209326E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10205
equivalent class: CHEBI_192947
abbrev: FA 18:3;O3

(9Z,11E)-12-((3S,5S)-5-((S)-1-hydroxypropyl)-1,2-dioxolan-3-yl)dodeca-9,11-dienoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-16(19)17-14-15(22-23-17)12-10-8-6-4-3-5-7-9-11-13-18(20)21/h6,8,10,12,15-17,19H,2-5,7,9,11,13-14H2,1H3,(H,20,21)/b8-6-,12-10+/t15-,16+,17+/m1/s1
inchikey: NHKZWYFRFFWLDJ-GODTXRENSA-N
monoisotopicmass: 3.26209326E2
label: 13S,15S-epidioxy-16S-HODE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10205
abbrev: FA 18:3;O3

(+/-)-8(9)-epoxy-5Z,11Z,14Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b4-3-,7-6-,12-9-,13-10-
inchikey: YKIOHMXLFWMWKD-JJUYGIQRSA-N
monoisotopicmass: 3.18219496E2
label: 8(9)-EpETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_137193
abbrev: FA 20:5;O

(+/-)-11(12)-epoxy-5Z,8Z,14Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h3-4,6,8-10,12-13,18-19H,2,5,7,11,14-17H2,1H3,(H,21,22)/b4-3-,8-6-,12-9-,13-10-
inchikey: QHOKDYBJJBDJGY-BVILWSOJSA-N
monoisotopicmass: 3.18219496E2
label: 11(12)-EpETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_137267
abbrev: FA 20:5;O

(+/-)-14(15)-epoxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,12-3-,13-10-
inchikey: RGZIXZYRGZWDMI-QXBXTPPVSA-N
monoisotopicmass: 3.18219496E2
label: 14(15)-EpETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_88457
abbrev: FA 20:5;O

(+/-)-17(18)-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-
inchikey: GPQVVJQEBXAKBJ-JPURVOHMSA-N
monoisotopicmass: 3.18219496E2
label: 17(18)-EpETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_72853
equivalent class: SLM_000389388
abbrev: FA 20:5;O

11R-HEDE
type: Class
formula: C20H36O3
inchi: InChI=1S/C20H36O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h7,10,13,16,19,21H,2-6,8-9,11-12,14-15,17-18H2,1H3,(H,22,23)/b10-7-,16-13+/t19-/m0/s1
inchikey: HDMIRVFIVOGVIC-VOYJXKAKSA-N
monoisotopicmass: 3.24266446E2
label: 11R-hydroxy-12E,14Z-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_165294
abbrev: FA 20:2;O

17R,18S-EpETE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-/t18-,19+/m0/s1
inchikey: GPQVVJQEBXAKBJ-VDTDYMMTSA-N
monoisotopicmass: 3.18219496E2
label: 17R,18S-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_76953
equivalent class: SLM_000389389
abbrev: FA 20:5;O

15R-HEDE
type: Class
formula: C20H36O3
inchi: InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+/t19-/m1/s1
inchikey: ZTRWPEHMGCHTIT-BABDSNKVSA-N
monoisotopicmass: 3.24266446E2
label: 15R-hydroxy-11Z-13E-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_165296
abbrev: FA 20:2;O

11S-HEDE
type: Class
formula: C20H36O3
inchi: InChI=1S/C20H36O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h7,10,13,16,19,21H,2-6,8-9,11-12,14-15,17-18H2,1H3,(H,22,23)/b10-7-,16-13+/t19-/m1/s1
inchikey: HDMIRVFIVOGVIC-HVLYWLSYSA-N
monoisotopicmass: 3.24266446E2
label: 11S-hydroxy-12E,14Z-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_165295
abbrev: FA 20:2;O

20-hydroxy-6Z,15Z-eicosadienoic acid
type: Class
formula: C20H36O3
inchikey: RYHYNNWEPYGEEH-WGEIWTTOSA-N
monoisotopicmass: 3.24266446E2
label: 20-HEDE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_165297
abbrev: FA 20:2;O

5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid
type: Class
formula: C20H34O8
inchi: InChI=1S/C20H34O8/c1-2-3-4-6-14(21)9-11-16-18-13-19(28-27-18)17(26-25-16)12-10-15(22)7-5-8-20(23)24/h10,12,14-19,21-22H,2-9,11,13H2,1H3,(H,23,24)/b12-10+/t14-,15-,16-,17-,18+,19-/m0/s1
inchikey: DOXGUXRZAOCYPM-IPIAXWAYSA-N
monoisotopicmass: 4.02225371E2
label: 5S-HETE di-endoperoxide
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_138496
abbrev: FA 20:3;O6

Dichotellate A
type: Class
formula: C26H42O4
inchi: InChI=1S/C26H42O4/c1-5-6-7-8-13-16-19-24(30-26(28)22-23(2)3)20-17-14-11-9-10-12-15-18-21-25(27)29-4/h10-14,16-17,20,23-24H,5-9,15,18-19,21-22H2,1-4H3/b12-10-,14-11+,16-13-,20-17+/t24-/m1/s1
inchikey: OKHPUUNJBPCHEJ-CFDCDSIPSA-N
monoisotopicmass: 4.18308311E2
label: Methyl 12R-(3-methylbutanoyloxy)-5Z,8E,10E,14Z-eicosatetraenoate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_169888
abbrev: FA 26:5;O2

Dichotellate B
type: Class
formula: C26H42O4
inchi: InChI=1S/C26H42O4/c1-5-6-7-8-13-16-19-24(30-26(28)22-23(2)3)20-17-14-11-9-10-12-15-18-21-25(27)29-4/h10-14,16-17,20,23-24H,5-9,15,18-19,21-22H2,1-4H3/b12-10-,14-11-,16-13-,20-17+/t24-/m1/s1
inchikey: OKHPUUNJBPCHEJ-WFYRLPSZSA-N
monoisotopicmass: 4.18308311E2
label: Methyl 12R-(3-methylbutanoyloxy)-5Z,8Z,10E,14Z-eicosatetraenoate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_165298
abbrev: FA 26:5;O2

8R,9S-cis-epoxy-10S-hydroxy-eicosa-11Z,14Z-dienoic acid
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-11-14-17(21)20-18(24-20)15-12-9-10-13-16-19(22)23/h6-7,11,14,17-18,20-21H,2-5,8-10,12-13,15-16H2,1H3,(H,22,23)/b7-6-,14-11-/t17-,18+,20-/m0/s1
inchikey: OSJHGFZWDLQFAS-GPTLMNHHSA-N
monoisotopicmass: 3.38245711E2
label: 8R,9S-epoxy-10S-hydroxy-11Z,14Z-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10300
abbrev: FA 20:3;O2

6-iodo-5-hydroxy-eicosa-8Z,11Z,14Z-trienoic acid gamma lactone
type: Class
formula: C20H31O2I
inchi: InChI=1S/C20H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19-16-14-17-20(22)23-19/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-
inchikey: FCRONHVVGUHKJB-QNEBEIHSSA-N
monoisotopicmass: 4.3013687E2
label: 6-iodo-8Z,11Z,14Z-eicosatrien-5-olide
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/10300
subclass of: https://www.lipidmaps.org/rdf/category/10704
equivalent class: CHEBI_185791

Ethyl-(5R,12S)-diacetoxy-(6E,8E,10E,14Z)-eicosa-(6,8,10,14)-tetraenoate
type: Class
formula: C26H40O6
inchi: InChI=1S/C26H40O6/c1-5-7-8-9-10-13-17-24(31-22(3)27)18-14-11-12-15-19-25(32-23(4)28)20-16-21-26(29)30-6-2/h10-15,18-19,24-25H,5-9,16-17,20-21H2,1-4H3/b12-11+,13-10-,18-14+,19-15+/t24-,25-/m1/s1
inchikey: CFOKTLVIDOPRCS-ZJLGDSPKSA-N
monoisotopicmass: 4.48282491E2
label: Ethyl-(5R,12S)-diacetoxy-(6E,8E,10E,14Z)-eicosatetraenoate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10300
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_187714
abbrev: FA 26:6;O4

Ethyl-(5S,12S)-diacetoxy-(6E,8E,10E,14Z)-eicosa-(6,8,10,14)-tetraenoate
type: Class
formula: C26H40O6
inchi: InChI=1S/C26H40O6/c1-5-7-8-9-10-13-17-24(31-22(3)27)18-14-11-12-15-19-25(32-23(4)28)20-16-21-26(29)30-6-2/h10-15,18-19,24-25H,5-9,16-17,20-21H2,1-4H3/b12-11+,13-10-,18-14+,19-15+/t24-,25+/m1/s1
inchikey: CFOKTLVIDOPRCS-IJLSXUSBSA-N
monoisotopicmass: 4.48282491E2
label: Ethyl-(5S,12S)-diacetoxy-(6E,8E,10E,14Z)-eicosatetraenoate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10300
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 26:6;O4

8Z,11Z,14Z,17Z-octadecatetraenoic acid
type: Class
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,4-5,7-8,10-11H,1,3,6,9,12-17H2,(H,19,20)/b5-4-,8-7-,11-10-
inchikey: MYJWKIHFIMVYGF-YSTUJMKBSA-N
monoisotopicmass: 2.7620893E2
subclass of: https://www.lipidmaps.org/rdf/category/10300
abbrev: FA 18:4

7Z,10Z,13Z,16Z,19Z-eicosapentaenoic acid
type: Class
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2,4-5,7-8,10-11,13-14H,1,3,6,9,12,15-19H2,(H,21,22)/b5-4-,8-7-,11-10-,14-13-
inchikey: WXWWHMAUMNQUSF-GJDCDIHCSA-N
monoisotopicmass: 3.02224581E2
subclass of: https://www.lipidmaps.org/rdf/category/10300
abbrev: FA 20:5

7Z,10Z,13Z,16Z-eicosatraenoic acid
type: Class
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h4-5,7-8,10-11,13-14H,2-3,6,9,12,15-19H2,1H3,(H,21,22)/b5-4-,8-7-,11-10-,14-13-
inchikey: QCPSKUPOPPPLSP-GJDCDIHCSA-N
monoisotopicmass: 3.04240231E2
subclass of: https://www.lipidmaps.org/rdf/category/10300
abbrev: FA 20:4

(5Z,8Z,10E,12E,14Z,17Z)-eicosa-5,8,10,12,14,17-hexaenoic acid
type: Class
formula: C20H28O2
inchi: InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-13,15-16H,2,5,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,9-8+,11-10+,13-12-,16-15-
inchikey: WNCVJOFMGDZIRT-UCDJHDFISA-N
monoisotopicmass: 3.0020893E2
label: 5Z,8Z,10E,12E,14Z,17Z-eicosahexaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10300
abbrev: FA 20:6

11-hydroxy-16-oxo-5Z,8Z,12E,14E,17E-eicosapentaenoic acid
type: Class
formula: C20H28O4
inchi: InChI=1S/C20H28O4/c1-2-3-13-18(21)15-11-12-16-19(22)14-9-7-5-4-6-8-10-17-20(23)24/h3-4,6-7,9,11-13,15-16,19,22H,2,5,8,10,14,17H2,1H3,(H,23,24)/b6-4-,9-7-,13-3+,15-11+,16-12+
inchikey: ZHQGOCLBNWZRIU-YAPLNPGCSA-N
monoisotopicmass: 3.32198761E2
label: Ptilodene
subclass of: https://www.lipidmaps.org/rdf/category/10300
abbrev: FA 20:6;O2

12,17;13,17-Diepoxy-9Z-octadecenoic acid
type: Class
formula: C18H30O4
inchi: InChI=1S/C18H30O4/c1-18-14-10-12-16(22-18)15(21-18)11-8-6-4-2-3-5-7-9-13-17(19)20/h6,8,15-16H,2-5,7,9-14H2,1H3,(H,19,20)/b8-6-
inchikey: QTQVTFPENXCJKW-VURMDHGXSA-N
monoisotopicmass: 3.10214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10300
abbrev: FA 18:3;O2

13,16-Epoxy-12-hydroxy-9Z-octadecenoic acid
type: Class
formula: C18H32O4
inchi: InChI=1S/C18H32O4/c1-2-15-13-14-17(22-15)16(19)11-9-7-5-3-4-6-8-10-12-18(20)21/h7,9,15-17,19H,2-6,8,10-14H2,1H3,(H,20,21)/b9-7-
inchikey: BLZRUYMMXDVEJR-CLFYSBASSA-N
monoisotopicmass: 3.12230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10300
abbrev: FA 18:2;O2

12,17;13,17-Diepoxy-16-hydroxy-9Z-octadecenoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-18-16(19)13-12-15(23-18)14(22-18)10-8-6-4-2-3-5-7-9-11-17(20)21/h6,8,14-16,19H,2-5,7,9-13H2,1H3,(H,20,21)/b8-6-
inchikey: AXRADOFMFPTYAS-VURMDHGXSA-N
monoisotopicmass: 3.26209326E2
subclass of: https://www.lipidmaps.org/rdf/category/10300
abbrev: FA 18:3;O3

13,16-Epoxy-7,12-dihydroxy-9Z-octadecenoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-15-12-13-17(23-15)16(20)10-7-6-9-14(19)8-4-3-5-11-18(21)22/h6-7,14-17,19-20H,2-5,8-13H2,1H3,(H,21,22)/b7-6-
inchikey: XJBRLNHWKVUEAW-SREVYHEPSA-N
monoisotopicmass: 3.28224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10300
abbrev: FA 18:2;O3

12-Oxo-10-(S-glutathionyl)-5Z,8Z,14Z-eicosatrienoic acid
type: Class
formula: C28H43N3O9S
inchi: InChI=1S/C28H43N3O9S/c1-2-3-4-9-12-20(32)17-21(13-10-7-5-6-8-11-14-25(34)35)41-19-23(27(38)30-18-26(36)37)31-24(33)16-15-22(29)28(39)40/h4-6,9-10,13,21-23H,2-3,7-8,11-12,14-19,29H2,1H3,(H,30,38)(H,31,33)(H,34,35)(H,36,37)(H,39,40)/b6-5-,9-4-,13-10-/t21?,22-,23-/m0/s1
inchikey: SKKVPWLMSXAYQM-NZGCILPESA-N
monoisotopicmass: 5.97272003E2
label: TOG10
subclass of: https://www.lipidmaps.org/rdf/category/10300

5-oxo-7-(S-glutathionyl)-8Z,11Z,14Z-eicosatrienoic acid
type: Class
formula: C28H43N3O9S
inchi: InChI=1S/C28H43N3O9S/c1-2-3-4-5-6-7-8-9-10-13-21(17-20(32)12-11-14-25(34)35)41-19-23(27(38)30-18-26(36)37)31-24(33)16-15-22(29)28(39)40/h4-5,7-8,10,13,21-23H,2-3,6,9,11-12,14-19,29H2,1H3,(H,30,38)(H,31,33)(H,34,35)(H,36,37)(H,39,40)/b5-4-,8-7-,13-10-/t21?,22-,23-/m0/s1
inchikey: YGLCGBVNLVWYKU-BPKIOZNWSA-N
monoisotopicmass: 5.97272003E2
label: FOG7
subclass of: https://www.lipidmaps.org/rdf/category/10300

14R,17R,18R-trihydroxy-5Z,8Z,11Z,15E-eicosatetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-18(22)19(23)16-15-17(21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h3,5-6,8-9,11,15-19,21-23H,2,4,7,10,12-14H2,1H3,(H,24,25)/b5-3-,8-6-,11-9-,16-15+/t17-,18-,19-/m1/s1
inchikey: FHKYIIAOBKDGDK-AMWNYCQBSA-N
monoisotopicmass: 3.52224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10300
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O3

14S,17R,18R-trihydroxy-5Z,8Z,11Z,15E-eicosatetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-18(22)19(23)16-15-17(21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h3,5-6,8-9,11,15-19,21-23H,2,4,7,10,12-14H2,1H3,(H,24,25)/b5-3-,8-6-,11-9-,16-15+/t17-,18+,19+/m0/s1
inchikey: FHKYIIAOBKDGDK-XWRNHZEISA-N
monoisotopicmass: 3.52224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10300
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O3

16R,17S,18R-trihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-17(21)20(25)18(22)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19(23)24/h3-4,7-10,13,15,17-18,20-22,25H,2,5-6,11-12,14,16H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,15-13-/t17-,18-,20+/m1/s1
inchikey: SDBLVSVMLTWSEM-ZOEOKULSSA-N
monoisotopicmass: 3.52224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10300
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O3

16S17S,18R-trihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-17(21)20(25)18(22)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19(23)24/h3-4,7-10,13,15,17-18,20-22,25H,2,5-6,11-12,14,16H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,15-13-/t17-,18+,20+/m1/s1
inchikey: SDBLVSVMLTWSEM-SRVVOBOYSA-N
monoisotopicmass: 3.52224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10300
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O3

17R,18R-dihydroxy-14R-methoxy-5Z,8Z,11Z,15E-eicosatetraenoic acid
type: Class
formula: C21H34O5
inchi: InChI=1S/C21H34O5/c1-3-19(22)20(23)17-16-18(26-2)14-12-10-8-6-4-5-7-9-11-13-15-21(24)25/h4,6-7,9-10,12,16-20,22-23H,3,5,8,11,13-15H2,1-2H3,(H,24,25)/b6-4-,9-7-,12-10-,17-16+/t18-,19-,20-/m1/s1
inchikey: PIFDTERTJHPZEL-BNZUYOTNSA-N
monoisotopicmass: 3.66240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10300
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 21:4;O3

17R,18R-dihydroxy-14S-methoxy-5Z,8Z,11Z,15E-eicosatetraenoic acid
type: Class
formula: C21H34O5
inchi: InChI=1S/C21H34O5/c1-3-19(22)20(23)17-16-18(26-2)14-12-10-8-6-4-5-7-9-11-13-15-21(24)25/h4,6-7,9-10,12,16-20,22-23H,3,5,8,11,13-15H2,1-2H3,(H,24,25)/b6-4-,9-7-,12-10-,17-16+/t18-,19+,20+/m0/s1
inchikey: PIFDTERTJHPZEL-VPPWSTSLSA-N
monoisotopicmass: 3.66240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10108
subclass of: https://www.lipidmaps.org/rdf/category/10300
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 21:4;O3

8,9-11,12-diepoxy-13-hydroxyeicosadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-8-11-15(21)20-18(25-20)14-17-16(24-17)12-9-6-7-10-13-19(22)23/h6,8-9,11,15-18,20-21H,2-5,7,10,12-14H2,1H3,(H,22,23)/b9-6-,11-8-/t15-,16?,17?,18?,20?/m1/s1
inchikey: ADZIYEKMBPTJAW-UXLXXWRZSA-N
monoisotopicmass: 3.52224976E2
label: 8,9;11,12-diepoxy-13R-hydroxy-5Z,14Z-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10300
abbrev: FA 20:4;O3

15-HEDE
type: Class
formula: C20H36O3
inchi: InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+
inchikey: ZTRWPEHMGCHTIT-QWAPPMFBSA-N
monoisotopicmass: 3.24266446E2
label: 15-hydroxy-11Z,13E-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_72847
abbrev: FA 20:2;O

(+/-)14(15)-EpEDE
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6,10,13,18-19H,2-3,5,7-9,11-12,14-17H2,1H3,(H,21,22)/b6-4-,13-10-
inchikey: ZXBWLXDDSYHRTE-QGIBGKBZSA-N
monoisotopicmass: 3.22250796E2
label: (+/-)14,15-epoxy-8Z,11Z-eicosadienoic Acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_191013
abbrev: FA 20:3;O

19-oxo-arachidonic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-
inchikey: KUPSOFRTWMTZDX-TWVHMNNTSA-N
monoisotopicmass: 3.18219496E2
label: 19-oxo-eicosa-5Z,8Z,11Z,14Z-tetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10300
abbrev: FA 20:5;O

17S,18R-EpETE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-/t18-,19+/m1/s1
inchikey: GPQVVJQEBXAKBJ-YQLHGUCYSA-N
monoisotopicmass: 3.18219496E2
label: 17S,18R-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10300
equivalent class: CHEBI_76955
abbrev: FA 20:5;O

Prostanoic acid skeleton
type: Class
formula: C20H38O2
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/t18-,19-/m0/s1
inchikey: WGJJROVFWIXTPA-OALUTQOASA-N
monoisotopicmass: 3.10287181E2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI 8504
abbrev: FA 20:1

6-keto-PGF1alpha
type: Class
formula: C20H34O6
inchi: InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1
inchikey: KFGOFTHODYBSGM-ZUNNJUQCSA-N
monoisotopicmass: 3.70235541E2
label: 6-oxo-9S,11R,15S-trihydroxy-13E-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_28158
abbrev: FA 20:3;O4

9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: PXGPLTODNUVGFL-YNNPMVKQSA-N
monoisotopicmass: 3.54240626E2
label: PGF2alpha
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15553
equivalent class: SLM_000000437
abbrev: FA 20:3;O3

9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
inchikey: XEYBRNLFEZDVAW-ARSRFYASSA-N
monoisotopicmass: 3.52224976E2
label: PGE2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15551
equivalent class: SLM_000000916
abbrev: FA 20:4;O3

9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
inchikey: BHMBVRSPMRCCGG-OUTUXVNYSA-N
monoisotopicmass: 3.52224976E2
label: PGD2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15555
equivalent class: SLM_000000427
abbrev: FA 20:4;O3

9-oxo-15S-hydroxy-10Z,13E-prostadienoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
inchikey: BGKHCLZFGPIKKU-LDDQNKHRSA-N
monoisotopicmass: 3.36230061E2
label: PGA1
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15545
equivalent class: SLM_000390067
abbrev: FA 20:4;O2

9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid (3,3,4,4-d4)
type: Class
formula: C20H30D4O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1/i5D2,8D2
inchikey: PXGPLTODNUVGFL-MKIWGZNBSA-N
monoisotopicmass: 3.58265733E2
label: PGF2alpha-d4
subclass of: https://www.lipidmaps.org/rdf/category/10301

9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid (3,3,4,4-d4)
type: Class
formula: C20H28D4O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1/i5D2,8D2
inchikey: BHMBVRSPMRCCGG-DCNIGHKFSA-N
monoisotopicmass: 3.56250082E2
label: PGD2-d4
subclass of: https://www.lipidmaps.org/rdf/category/10301

11R,15S-dihydroxy-9-oxo-5Z,13E-prostadienoic acid (3,3,4,4-d4)
type: Class
formula: C20H28D4O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1/i5D2,8D2
inchikey: XEYBRNLFEZDVAW-YOLMOHOWSA-N
monoisotopicmass: 3.56250082E2
label: PGE2-d4
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_180942

9S,11R-epidioxy-15S-hydroperoxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: SGUKUZOVHSFKPH-YNNPMVKQSA-N
monoisotopicmass: 3.68219891E2
label: PGG2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_27647
equivalent class: SLM_000389777
abbrev: FA 20:4;O4

9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: YIBNHAJFJUQSRA-YNNPMVKQSA-N
monoisotopicmass: 3.52224976E2
label: PGH2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15554
equivalent class: SLM_000000426
abbrev: FA 20:4;O3

2,3-dinor-11beta-PGF2alpha
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14+,15+,16-,17-/m0/s1
inchikey: IDKLJIUIJUVJNR-KSJYGFEGSA-N
monoisotopicmass: 3.26209326E2
label: 9S,11S,15S-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165323
abbrev: FA 18:3;O3

6,9-dioxo-11R,15S-dihydroxy-13E-prostenoic acid
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1
inchikey: ROUDCKODIMKLNO-CTBSXBMHSA-N
monoisotopicmass: 3.68219891E2
label: 6-keto PGE1
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_28269
abbrev: FA 20:4;O4

13,14-dihydro-6,15-diketo-PGF1alpha
type: Class
formula: C20H34O6
inchi: InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h16-19,23-24H,2-13H2,1H3,(H,25,26)/t16-,17-,18-,19+/m1/s1
inchikey: KBHLXKOKUVJZIS-MKXGPGLRSA-N
monoisotopicmass: 3.70235541E2
label: 6,15-dioxo-9S,11R-dihydroxyprostanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:3;O4

20-hydroxy-PGE2
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-17,19,21-22,24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,19+/m0/s1
inchikey: AZIGEYVZEVXWAD-NZGURKHLSA-N
monoisotopicmass: 3.68219891E2
label: 9-oxo-11R,15S,20-trihydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_137370
abbrev: FA 20:4;O4

15S-hydroxy-9-oxo-5Z,8(12),13E-prostatrienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1
inchikey: PRFXRIUZNKLRHM-HKVRTXJWSA-N
monoisotopicmass: 3.34214411E2
label: PGB2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_28099
abbrev: FA 20:5;O2

11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1
inchikey: UQOQENZZLBSFKO-POPPZSFYSA-N
monoisotopicmass: 3.34214411E2
label: PGJ2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_27485
abbrev: FA 20:5;O2

11-oxo-15S-hydroxy-5Z,9Z,12E-prostatrienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1
inchikey: TUXFWOHFPFBNEJ-GJGHEGAFSA-N
monoisotopicmass: 3.34214411E2
label: delta-12-PGJ2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_28130
abbrev: FA 20:5;O2

11-oxo-5Z,9,12E,14E-prostatetraenoic acid
type: Class
formula: C20H28O3
inchi: InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1
inchikey: VHRUMKCAEVRUBK-GODQJPCRSA-N
monoisotopicmass: 3.16203846E2
label: 15-deoxy-delta-12,14-PGJ2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_34159
equivalent class: SLM_000399850
abbrev: FA 20:6;O

11,15-dioxo-9S-hydroxy-5Z-prostenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+/m1/s1
inchikey: VSRXYLYXIXYEST-KZTWKYQFSA-N
monoisotopicmass: 3.52224976E2
label: 13,14-dihydro-15-keto-PGD2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_72603
abbrev: FA 20:4;O3

9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,21H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+/m0/s1
inchikey: LGMXPVXJSFPPTQ-DJUJBXLVSA-N
monoisotopicmass: 3.50209326E2
label: PGK2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165341
abbrev: FA 20:5;O3

19R-hydroxy-PGE2
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h2,4,11-12,14-17,19,21-22,24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/t14-,15+,16-,17-,19-/m1/s1
inchikey: WTJYDBMHYPQFNJ-ZUVVJKHESA-N
monoisotopicmass: 3.68219891E2
label: 9-oxo-11R,15S,19R-trihydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165313
abbrev: FA 20:4;O4

9R,11R,15S-trihydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19+/m0/s1
inchikey: PXGPLTODNUVGFL-JZFBHDEDSA-N
monoisotopicmass: 3.54240626E2
label: PGF2beta
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_28922
abbrev: FA 20:3;O3

15-keto-PGF2alpha
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+,19-/m1/s1
inchikey: LOLJEILMPWPILA-AMFHKTBMSA-N
monoisotopicmass: 3.52224976E2
label: 9S,11R-dihydroxy-15-oxo-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_28442
abbrev: FA 20:4;O3

13,14-dihydro-15-keto-PGF2alpha
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19-/m1/s1
inchikey: VKTIONYPMSCHQI-XAGFEHLVSA-N
monoisotopicmass: 3.54240626E2
label: 9S,11S-dihydroxy-15-oxo-5Z-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_63976
abbrev: FA 20:3;O3

20-hydroxy-PGF2alpha
type: Class
formula: C20H34O6
inchi: InChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-19,21-24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,18-,19+/m0/s1
inchikey: XQXUYZDBZCLAQO-UNKHNRNISA-N
monoisotopicmass: 3.70235541E2
label: 9S,11S,15S,20-tetrahydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165322
abbrev: FA 20:3;O4

15-keto-PGE2
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1
inchikey: YRTJDWROBKPZNV-KMXMBPPJSA-N
monoisotopicmass: 3.50209326E2
label: 9,15-dioxo-11R-hydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15547
equivalent class: SLM_000390037
abbrev: FA 20:5;O3

13,14-dihydro-15-keto-PGE2
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1
inchikey: CUJMXIQZWPZMNQ-XYYGWQPLSA-N
monoisotopicmass: 3.52224976E2
label: 9,15-dioxo-11R-hydroxy-5Z-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15550
abbrev: FA 20:4;O3

11R-hydroxy-9,15-dioxo-2,3,4,5-tetranor-prostan-1,20-dioic acid
type: Class
formula: C16H24O7
inchi: InChI=1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-13,18H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13-/m1/s1
inchikey: ZJAZCYLYLVCSNH-JHJVBQTASA-N
monoisotopicmass: 3.28152205E2
label: Tetranor-PGEM
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_73965
abbrev: FA 16:4;O5

13,14-dihydro-15-keto-PGA2
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3,(H,23,24)/b7-4-/t16-,18+/m0/s1
inchikey: FMKLAIBZMCURLI-BFVRRIQPSA-N
monoisotopicmass: 3.34214411E2
label: 9,15-dioxo-5Z,10-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_89315
abbrev: FA 20:5;O2

9,15-dioxo-5Z-prostaenoic acid-cyclo[11S,16]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-8-16-17-13-19(22)15(14(17)11-12-18(16)21)9-6-4-5-7-10-20(23)24/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,23,24)/b6-4-/t14-,15-,16?,17+/m1/s1
inchikey: CGCZPIJMGKLVTQ-PAJBVNRRSA-N
monoisotopicmass: 3.34214411E2
label: bicyclo-PGE2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_89568
abbrev: FA 20:5;O2

9-oxo-15S-hydroxy-5Z,10Z,13E-prostatrienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1
inchikey: MYHXHCUNDDAEOZ-FOSBLDSVSA-N
monoisotopicmass: 3.34214411E2
label: PGA2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_27820
abbrev: FA 20:5;O2

11beta-PGF2
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19-/m0/s1
inchikey: PXGPLTODNUVGFL-ZWAKLXPCSA-N
monoisotopicmass: 3.54240626E2
label: 9S,11S,15S-trihydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_27595
equivalent class: SLM_000390100
abbrev: FA 20:3;O3

6k-PGF1alpha-d4
type: Class
formula: C20H30D4O6
inchi: InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1/i5D2,6D2
inchikey: KFGOFTHODYBSGM-GKZGVFJGSA-N
monoisotopicmass: 3.74260648E2
label: 9S,11R,15S-trihydroxy-6-oxo-13E-prostenoic acid (3,3,4,4-d4)
subclass of: https://www.lipidmaps.org/rdf/category/10301

19R-hydroxy-PGF1alpha
type: Class
formula: C20H36O6
inchi: InChI=1S/C20H36O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h11-12,14-19,21-24H,2-10,13H2,1H3,(H,25,26)/b12-11+/t14-,15+,16-,17-,18+,19-/m1/s1
inchikey: JRNZEGAFLBTZDT-IRMCVWCUSA-N
monoisotopicmass: 3.72251191E2
label: 9S,11R,15S,19R-tetrahydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165314
abbrev: FA 20:2;O4

15R-PGF2alpha
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18+,19-/m1/s1
inchikey: PXGPLTODNUVGFL-CKXCCYAOSA-N
monoisotopicmass: 3.54240626E2
label: 9S,11R,15R-trihydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165306
abbrev: FA 20:3;O3

19R-hydroxy-PGF2alpha
type: Class
formula: C20H34O6
inchi: InChI=1S/C20H34O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h2,4,11-12,14-19,21-24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/t14-,15+,16-,17-,18+,19-/m1/s1
inchikey: UBWZMPMLSDJDSU-OQRQNLQMSA-N
monoisotopicmass: 3.70235541E2
label: 9S,11R,15S,19R-tetrahydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165315
abbrev: FA 20:3;O4

9S,11R-epidioxy-15S-hydroxy-13E-prostaenoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/b13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: NTAYABHEVAQSJS-CDIPTNKSSA-N
monoisotopicmass: 3.54240626E2
label: PGH1
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_91133
equivalent class: SLM_000501235
abbrev: FA 20:3;O3

6,9S-epoxy-11R,15S-dihydroxy-15Z,13E,17Z-prostatrienoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h3-4,8,10-11,14,16-19,21-22H,2,5-7,9,12-13H2,1H3,(H,23,24)/b4-3-,11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1
inchikey: NCYSTSFUYSFMEO-OBLTVXDOSA-N
monoisotopicmass: 3.50209326E2
label: PGI3
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165339
abbrev: FA 20:5;O3

15-epi-PGA1
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17+,18+/m0/s1
inchikey: BGKHCLZFGPIKKU-AHUSATQRSA-N
monoisotopicmass: 3.36230061E2
label: 9-oxo-15R-hydroxy-10Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_188416
abbrev: FA 20:4;O2

9S,15S-dihydroxy-11-oxo-13E-prostaenoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1
inchikey: CIMMACURCPXICP-PNQRDDRVSA-N
monoisotopicmass: 3.54240626E2
label: PGD1
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_27696
equivalent class: SLM_000001134
abbrev: FA 20:3;O3

15-methyl-15S-PGD2
type: Class
formula: C21H34O5
inchi: InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21+/m1/s1
inchikey: CTXLUMAOXBULOZ-QEQARHSSSA-N
monoisotopicmass: 3.66240626E2
label: 9S,15S-dihydroxy-11-oxo-15-methyl-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 21:4;O3

15-deoxy-delta-12,14-PGD2
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17-,19+/m1/s1
inchikey: QUGBPWLPAUHDTI-PLGLXCLHSA-N
monoisotopicmass: 3.34214411E2
label: 9S-hydroxy-11-oxo-5Z,12E,14E-prostatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:5;O2

16,16-dimethyl-PGD2
type: Class
formula: C22H36O5
inchi: InChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-18,20,23,25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18+,20-/m1/s1
inchikey: ZEMOZGYCFBTCMC-MBNOUSKYSA-N
monoisotopicmass: 3.80256276E2
label: 9S,15S-dihydroxy-11-oxo-16,16-dimethyl-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_186834
abbrev: FA 22:4;O3

1,11R,15S-trihydroxy-13E-prosten-9-one
type: Class
formula: C20H36O4
inchi: InChI=1S/C20H36O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h12-13,16-18,20-22,24H,2-11,14-15H2,1H3/b13-12+/t16-,17+,18+,20+/m0/s1
inchikey: CMHCOGHTKXUQKW-KOAZGICHSA-N
monoisotopicmass: 3.40261361E2
label: PGE1 alcohol
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
subclass of: https://www.lipidmaps.org/rdf/category/105
equivalent class: CHEBI_165331
abbrev: FA 20:2;O2

11-deoxy-PGE1
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-18,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
inchikey: DPNOTBLPQOITGU-LDDQNKHRSA-N
monoisotopicmass: 3.38245711E2
label: 9-oxo-15S-hydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_176744
abbrev: FA 20:3;O2

15R-PGE1
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17-,19-/m1/s1
inchikey: GMVPRGQOIOIIMI-CHCORRSHSA-N
monoisotopicmass: 3.54240626E2
label: 9-oxo-11R,15R-dihydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_182985
abbrev: FA 20:3;O3

15-methyl-15S-PGE1
type: Class
formula: C21H36O5
inchi: InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h12,14,16-17,19,23,26H,3-11,13,15H2,1-2H3,(H,24,25)/b14-12+/t16-,17-,19-,21+/m1/s1
inchikey: OMNFCPCBKCERJP-XBZFKEOQSA-N
monoisotopicmass: 3.68256276E2
label: 9-oxo-11R,15S-dihydroxy-15-methyl-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_182984
abbrev: FA 21:3;O3

16,16-dimethyl-PGE1
type: Class
formula: C22H38O5
inchi: InChI=1S/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h12-13,16-17,19-20,24-25H,4-11,14-15H2,1-3H3,(H,26,27)/b13-12+/t16-,17-,19-,20-/m1/s1
inchikey: RQOFITYRYPQNLL-ZWSAOQBFSA-N
monoisotopicmass: 3.82271926E2
label: 9-oxo-11R,15S-dihydroxy-16,16-dimethyl-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_186965
abbrev: FA 22:3;O3

9-deoxy-9-methylene-PGE2
type: Class
formula: C21H34O4
inchi: InChI=1S/C21H34O4/c1-3-4-7-10-17(22)13-14-19-18(16(2)15-20(19)23)11-8-5-6-9-12-21(24)25/h5,8,13-14,17-20,22-23H,2-4,6-7,9-12,15H2,1H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+,20+/m0/s1
inchikey: VKEJXDXJUFQESA-DLMPNJEASA-N
monoisotopicmass: 3.50245711E2
label: 9-methylene-11R,15S-dihydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165326
abbrev: FA 21:4;O2

9-deoxy-9-methylene-16,16-dimethyl -PGE2
type: Class
formula: C23H38O4
inchi: InChI=1S/C23H38O4/c1-5-6-15-23(3,4)21(25)14-13-19-18(17(2)16-20(19)24)11-9-7-8-10-12-22(26)27/h7,9,13-14,18-21,24-25H,2,5-6,8,10-12,15-16H2,1,3-4H3,(H,26,27)/b9-7-,14-13+/t18-,19+,20+,21+/m0/s1
inchikey: WMLGLMGSFIXSGO-KTXJXPLISA-N
monoisotopicmass: 3.78277011E2
label: 9-methylene-11R,15S-dihydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165325
abbrev: FA 23:4;O2

11beta-PGE2
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19-/m0/s1
inchikey: XEYBRNLFEZDVAW-YUOXZBOXSA-N
monoisotopicmass: 3.52224976E2
label: 9-oxo-11S,15S-dihydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_140932
abbrev: FA 20:4;O3

11-deoxy-PGE2
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-18,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1
inchikey: CTHZICXYLKQMKI-FOSBLDSVSA-N
monoisotopicmass: 3.36230061E2
label: 9-oxo-15S-hydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165301
abbrev: FA 20:4;O2

11-deoxy-16,16-dimethyl-PGE2
type: Class
formula: C22H36O4
inchi: InChI=1S/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h6,8,13,15,17-18,20,24H,4-5,7,9-12,14,16H2,1-3H3,(H,25,26)/b8-6-,15-13+/t17-,18-,20-/m1/s1
inchikey: LLVVDFDWPQHXBA-QEJIITRLSA-N
monoisotopicmass: 3.64261361E2
label: 9-oxo-15R-hydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165300
abbrev: FA 22:4;O2

15-methyl-15R-PGE2
type: Class
formula: C21H34O5
inchi: InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-17,19,23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,19-,21-/m1/s1
inchikey: XSGQFHNPNWBVPT-VFXMVCAWSA-N
monoisotopicmass: 3.66240626E2
label: 9-oxo-11R,15R-dihydroxy-15-methyl-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_184592
abbrev: FA 21:4;O3

15-methyl-15S-PGE2
type: Class
formula: C21H34O5
inchi: InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-17,19,23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,19-,21+/m1/s1
inchikey: XSGQFHNPNWBVPT-DSFPJDRCSA-N
monoisotopicmass: 3.66240626E2
label: 9-oxo-11R,15S-dihydroxy-15-methyl-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165305
abbrev: FA 21:4;O3

16,16-dimethyl-PGE2
type: Class
formula: C22H36O5
inchi: InChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19-,20-/m1/s1
inchikey: QAOBBBBDJSWHMU-WMBBNPMCSA-N
monoisotopicmass: 3.80256276E2
label: 9-oxo-11R,15R-dihydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_141046
abbrev: FA 22:4;O3

16-phenyl-tetranor-PGE2
type: Class
formula: C22H28O5
inchi: InChI=1S/C22H28O5/c23-17(14-16-8-4-3-5-9-16)12-13-19-18(20(24)15-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,17-19,21,23,25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t17-,18-,19-,21-/m1/s1
inchikey: DXWJXQSQVUJRNS-YYWARMNLSA-N
monoisotopicmass: 3.72193676E2
label: 9-oxo-11R,15S-dihydroxy-16-phenyl-17,18,19,20-tetranor-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165308
abbrev: FA 22:8;O3

17-phenyl-trinor-PGE2
type: Class
formula: C23H30O5
inchi: InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,22+/m0/s1
inchikey: FOBVMYJQWZOGGJ-XYRJXBATSA-N
monoisotopicmass: 3.86209326E2
label: 9-oxo-11R,15S-dihydroxy-17-phenyl-18,19,20-trinor-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_87820
abbrev: FA 23:8;O3

11-deoxy-PGF1a
type: Class
formula: C20H36O4
inchi: InChI=1S/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19-/m0/s1
inchikey: HYBPXYQCXNOTFK-DUSCRHDRSA-N
monoisotopicmass: 3.40261361E2
label: 9S,15S-dihydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165302
abbrev: FA 20:2;O2

9R,11R,15S-trihydroxy-13E-prostaenoic acid
type: Class
formula: C20H36O5
inchi: InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18+,19+/m0/s1
inchikey: DZUXGQBLFALXCR-JQXWHSLNSA-N
monoisotopicmass: 3.56256276E2
label: PGF1beta
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165335
abbrev: FA 20:2;O3

11-deoxy-PGF1b
type: Class
formula: C20H36O4
inchi: InChI=1S/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19+/m0/s1
inchikey: HYBPXYQCXNOTFK-JLNUFZAQSA-N
monoisotopicmass: 3.40261361E2
label: 9R,15S-dihydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_168703
abbrev: FA 20:2;O2

9S,15S-dihydroxy-5Z,13E-prostadienoic acid-1,11R-lactone
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-15(21)12-13-17-16-10-7-4-5-8-11-20(23)24-19(17)14-18(16)22/h4,7,12-13,15-19,21-22H,2-3,5-6,8-11,14H2,1H3/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: KBFCVOAVUKWCPS-YNNPMVKQSA-N
monoisotopicmass: 3.36230061E2
label: PGF2alpha-1,11-lactone
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_167814
abbrev: FA 20:4;O2

9S,11R-dihydroxy-5Z,13E-prostadienoic acid-1,15S-lactone
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-15-12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24-15/h4,7,12-13,15-19,21-22H,2-3,5-6,8-11,14H2,1H3/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: UTLCNJREJFJDLH-YNNPMVKQSA-N
monoisotopicmass: 3.36230061E2
label: PGF2alpha-1,15-lactone
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_185952
abbrev: FA 20:4;O2

1-methoxy-9S,11R,15S-trihydroxy-5Z,13E-prostadiene
type: Class
formula: C21H38O4
inchi: InChI=1S/C21H38O4/c1-3-4-8-11-17(22)13-14-19-18(20(23)16-21(19)24)12-9-6-5-7-10-15-25-2/h6,9,13-14,17-24H,3-5,7-8,10-12,15-16H2,1-2H3/b9-6-,14-13+/t17-,18+,19+,20-,21+/m0/s1
inchikey: VWEVSUSNDAHANL-GPPPFWBLSA-N
monoisotopicmass: 3.54277011E2
label: PGF2alpha methyl ether
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_137215
abbrev: FA 21:2;O2

N,N-dimethyl-9S,11R,15S-trihydroxy-5Z,13E-prostadien-1-amide
type: Class
formula: C22H39NO4
inchi: InChI=1S/C22H39NO4/c1-4-5-8-11-17(24)14-15-19-18(20(25)16-21(19)26)12-9-6-7-10-13-22(27)23(2)3/h6,9,14-15,17-21,24-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t17-,18+,19+,20-,21+/m0/s1
inchikey: QGAWKBHDDFBNMX-GWSKAPOCSA-N
monoisotopicmass: 3.81287909E2
label: PGF2alpha dimethyl amide
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_186655

N-(9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl)-ethanolamine
type: Class
formula: C22H39NO5
inchi: InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-,21+/m0/s1
inchikey: XCVCLIRZZCGEMU-WLOFLUCMSA-N
monoisotopicmass: 3.97282824E2
label: PGF2alpha-EA
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
subclass of: https://www.lipidmaps.org/rdf/category/10804
equivalent class: CHEBI_53081
equivalent class: SLM_000390044
abbrev: NAE 20:3;O3

PGF2alpha isopropyl ester
type: Class
formula: C23H40O5
inchi: InChI=1S/C23H40O5/c1-4-5-8-11-18(24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-17(2)3/h6,9,14-15,17-22,24-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,21-,22+/m0/s1
inchikey: FPABVZYYTCHNMK-YNRDDPJXSA-N
monoisotopicmass: 3.96287576E2
label: isopropyl 9S,11R,15S-trihydroxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165336
abbrev: FA 23:3;O3

5-trans-PGF2alpha
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: PXGPLTODNUVGFL-UAAPODJFSA-N
monoisotopicmass: 3.54240626E2
label: 9S,11R,15S-trihydroxy-5E,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_187232
abbrev: FA 20:3;O3

11-deoxy-PGF2a
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-19,21-22H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+,19-/m0/s1
inchikey: YRFLKMLJQWGIIZ-APRRXLQMSA-N
monoisotopicmass: 3.38245711E2
label: 9S,15S-dihydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165303
abbrev: FA 20:3;O2

13,14-dihydro-PGF2alpha
type: Class
formula: C20H36O5
inchi: InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,15-19,21-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t15-,16+,17+,18-,19+/m0/s1
inchikey: LLQBSJQTCKVWTD-NFUXFLSFSA-N
monoisotopicmass: 3.56256276E2
label: 9S,11R,15S-trihydroxy-5Z-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_88346
abbrev: FA 20:2;O3

15-methyl-15S-PGF2alpha
type: Class
formula: C21H36O5
inchi: InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1
inchikey: DLJKPYFALUEJCK-IIELGFQLSA-N
monoisotopicmass: 3.68256276E2
label: 9S,11R,15S-trihydroxy-15-methyl-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI 3403
abbrev: FA 21:3;O3

17-phenyl-trinor-PGF2alpha
type: Class
formula: C23H32O5
inchi: InChI=1S/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,21-,22+/m0/s1
inchikey: YFHHIZGZVLHBQZ-KDACTHKWSA-N
monoisotopicmass: 3.88224976E2
label: 9S,11R,15S-trihydroxy-17-phenyl-18,19,20-trinor-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_73773
abbrev: FA 23:7;O3

16,16-dimethyl-PGF2beta
type: Class
formula: C22H38O5
inchi: InChI=1S/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-20,23-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18-,19-,20-/m1/s1
inchikey: YMRWVEHSLXJOCD-OPVFONCOSA-N
monoisotopicmass: 3.82271926E2
label: 9R,11R,15R-trihydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165307
abbrev: FA 22:3;O3

16,16-dimethyl-PGA1
type: Class
formula: C22H36O4
inchi: InChI=1S/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h12-15,17-18,20,24H,4-11,16H2,1-3H3,(H,25,26)/b15-13+/t17-,18-,20-/m1/s1
inchikey: CTQQHQGBBMYJPT-DZFVFWAGSA-N
monoisotopicmass: 3.64261361E2
label: 9-oxo-15R-hydroxy-16,16-dimethyl-10Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_156175
abbrev: FA 22:4;O2

16,16-dimethyl-PGA2
type: Class
formula: C22H34O4
inchi: InChI=1S/C22H34O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h6,8,12-15,17-18,20,24H,4-5,7,9-11,16H2,1-3H3,(H,25,26)/b8-6-,15-13+/t17-,18-,20-/m1/s1
inchikey: MOTPSJUHMGPRFZ-QEJIITRLSA-N
monoisotopicmass: 3.62245711E2
label: 9oxo-15R-hydroxy-16,16-dimethyl-5Z,10Z,13E-prostatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_178528
abbrev: FA 22:5;O2

6,9S-epoxy-11R,15S-dihydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1
inchikey: KAQKFAOMNZTLHT-OZUDYXHBSA-N
monoisotopicmass: 3.52224976E2
label: PGI2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15552
equivalent class: SLM_000390040
abbrev: FA 20:4;O3

2,3-dinor, 6-keto-PGF1alpha
type: Class
formula: C18H30O6
inchi: InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t12-,14+,15+,16+,17-/m0/s1
inchikey: DNKGWNLXBRCUCF-NLOSNHEGSA-N
monoisotopicmass: 3.42204241E2
label: 6-oxo-9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_73944
abbrev: FA 18:3;O4

15R-PGA2
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17+,18+/m0/s1
inchikey: MYHXHCUNDDAEOZ-USRHFZIESA-N
monoisotopicmass: 3.34214411E2
label: 9oxo-15R-hydroxy-5Z,10Z,13E-prostatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:5;O2

15R-PGE2
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19-/m1/s1
inchikey: XEYBRNLFEZDVAW-GKEZHNTDSA-N
monoisotopicmass: 3.52224976E2
label: 9-oxo-11R,15R-dihydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:4;O3

15R-PGE2 methyl ester
type: Class
formula: C21H34O5
inchi: InChI=1S/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17-,18-,20-/m1/s1
inchikey: WGCXTGBZBFBQPP-KKUAIEMYSA-N
monoisotopicmass: 3.66240626E2
label: methyl 9-oxo-11R,15R-dihydroxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_184913
abbrev: FA 21:4;O3

9S,15S-dihydroxy-11R-acetoxy-5Z,13E-prostadienoic acid
type: Class
formula: C22H36O6
inchi: InChI=1S/C22H36O6/c1-3-4-7-10-17(24)13-14-19-18(11-8-5-6-9-12-22(26)27)20(25)15-21(19)28-16(2)23/h5,8,13-14,17-21,24-25H,3-4,6-7,9-12,15H2,1-2H3,(H,26,27)/b8-5-,14-13+/t17-,18+,19+,20-,21+/m0/s1
inchikey: HQOFFMPYTVAOFE-RBFHUNFKSA-N
monoisotopicmass: 3.96251191E2
label: PGF2alpha-11-acetate
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_186852
abbrev: FA 22:4;O4

PGF2alpha-11-acetate methyl ester
type: Class
formula: C23H38O6
inchi: InChI=1S/C23H38O6/c1-4-5-8-11-18(25)14-15-20-19(21(26)16-22(20)29-17(2)24)12-9-6-7-10-13-23(27)28-3/h6,9,14-15,18-22,25-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,21-,22+/m0/s1
inchikey: ZGDWNZMBIMUYME-YNRDDPJXSA-N
monoisotopicmass: 4.10266841E2
label: methyl 9S,15S-dihydroxy-11R-acetoxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_169204
abbrev: FA 23:4;O4

18-acetoxy-PGF2alpha-11-acetate
type: Class
formula: C24H38O8
inchi: InChI=1S/C24H38O8/c1-4-19(31-16(2)25)13-11-18(27)12-14-21-20(9-7-5-6-8-10-24(29)30)22(28)15-23(21)32-17(3)26/h5,7,12,14,18-23,27-28H,4,6,8-11,13,15H2,1-3H3,(H,29,30)/b7-5-,14-12+/t18-,19?,20+,21+,22-,23+/m0/s1
inchikey: RPLPBOQMXRLFMI-WWHNEAPVSA-N
monoisotopicmass: 4.54256671E2
label: 9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165309
abbrev: FA 24:5;O6

18-acetoxy-PGF2alpha-11-acetate methyl ester
type: Class
formula: C25H40O8
inchi: InChI=1S/C25H40O8/c1-5-20(32-17(2)26)14-12-19(28)13-15-22-21(23(29)16-24(22)33-18(3)27)10-8-6-7-9-11-25(30)31-4/h6,8,13,15,19-24,28-29H,5,7,9-12,14,16H2,1-4H3/b8-6-,15-13+/t19-,20?,21+,22+,23-,24+/m0/s1
inchikey: DILYBEDJTMAIIY-IJALTSKHSA-N
monoisotopicmass: 4.68272321E2
label: methyl 9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_185727
abbrev: FA 25:5;O6

5-trans-PGA2
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4+,14-12+/t16-,17-,18+/m0/s1
inchikey: MYHXHCUNDDAEOZ-JLGPIWRLSA-N
monoisotopicmass: 3.34214411E2
label: 9oxo-15S-hydroxy-5E,10Z,13E-prostatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_184988
abbrev: FA 20:5;O2

9S,15S-dihydroxy-11-oxo-5Z,12E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,13,15-16,18,21-22H,2-3,5-6,8-12,14H2,1H3,(H,24,25)/b7-4-,17-13+/t15-,16+,18-/m0/s1
inchikey: OBTVQKDILGZFPY-WBYUMCMISA-N
monoisotopicmass: 3.52224976E2
label: delta-12-PGD2
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:4;O3

15R-PGD2
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18+/m1/s1
inchikey: BHMBVRSPMRCCGG-DFVNJMEGSA-N
monoisotopicmass: 3.52224976E2
label: 9S,15R-dihydroxy-11-oxo-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_183003
abbrev: FA 20:4;O3

11-deoxy-11-methylene-PGD2
type: Class
formula: C21H34O4
inchi: InChI=1S/C21H34O4/c1-3-4-7-10-17(22)13-14-18-16(2)15-20(23)19(18)11-8-5-6-9-12-21(24)25/h5,8,13-14,17-20,22-23H,2-4,6-7,9-12,15H2,1H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+,20-/m0/s1
inchikey: ROZAFJXVUNORLT-SFIVEXQWSA-N
monoisotopicmass: 3.50245711E2
label: 9S,15S-dihydroxy-11-methylene-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_184260
abbrev: FA 21:4;O2

11-deoxy-11-methylene-15-keto-PGD2
type: Class
formula: C21H32O4
inchi: InChI=1S/C21H32O4/c1-3-4-7-10-17(22)13-14-18-16(2)15-20(23)19(18)11-8-5-6-9-12-21(24)25/h5,8,13-14,18-20,23H,2-4,6-7,9-12,15H2,1H3,(H,24,25)/b8-5-,14-13+/t18-,19+,20-/m0/s1
inchikey: SAAKCJFTIGHOEX-WQXLGBCHSA-N
monoisotopicmass: 3.48230061E2
label: 9S-hydroxy-11-mehylene-15-oxo-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165299
abbrev: FA 21:5;O2

15-methyl-15R-PGD2
type: Class
formula: C21H34O5
inchi: InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21-/m1/s1
inchikey: CTXLUMAOXBULOZ-BKVRKCTKSA-N
monoisotopicmass: 3.66240626E2
label: 9S,15R-dihydroxy-11-oxo-15-methyl-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_185064
abbrev: FA 21:4;O3

11-beta-PGE1
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19-/m0/s1
inchikey: GMVPRGQOIOIIMI-FZYGRIMQSA-N
monoisotopicmass: 3.54240626E2
label: 9-oxo-11S,15S-dihydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_192604
abbrev: FA 20:3;O3

1a,1b-dihomo-PGE1
type: Class
formula: C22H38O5
inchi: InChI=1S/C22H38O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h14-15,17-19,21,23,25H,2-13,16H2,1H3,(H,26,27)/b15-14+/t17-,18+,19+,21+/m0/s1
inchikey: YMDDELUTDBQEMT-QZCLESEGSA-N
monoisotopicmass: 3.82271926E2
label: 9-oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_184175
abbrev: FA 22:3;O3

1,9S,11R,15S-tetrahydroxy-5Z,13E-prostadiene
type: Class
formula: C20H36O4
inchi: InChI=1S/C20H36O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h5,8,12-13,16-24H,2-4,6-7,9-11,14-15H2,1H3/b8-5-,13-12+/t16-,17+,18+,19-,20+/m0/s1
inchikey: QYBXRFWLQYXAPC-LFZNYWNYSA-N
monoisotopicmass: 3.40261361E2
label: PGF2alpha alcohol
subclass of: https://www.lipidmaps.org/rdf/category/10301
subclass of: https://www.lipidmaps.org/rdf/category/105
equivalent class: CHEBI_183525
abbrev: FOH 20:2;O3

1-dimethylamino-9S,11R,15S-trihydroxy-5Z,13E-prostadiene
type: Class
formula: C22H41NO3
inchi: InChI=1S/C22H41NO3/c1-4-5-9-12-18(24)14-15-20-19(21(25)17-22(20)26)13-10-7-6-8-11-16-23(2)3/h7,10,14-15,18-22,24-26H,4-6,8-9,11-13,16-17H2,1-3H3/b10-7-,15-14+/t18-,19+,20+,21-,22+/m0/s1
inchikey: VNLQPSLXSAMMMJ-PIOKUXGXSA-N
monoisotopicmass: 3.67308644E2
label: PGE2alpha dimethyl amine
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_73741

PGF2alpha methyl ester
type: Class
formula: C21H36O5
inchi: InChI=1S/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,19-,20+/m0/s1
inchikey: PJDMFGSFLLCCAO-NVRZHKMMSA-N
monoisotopicmass: 3.68256276E2
label: methyl 9S,11R,15S-trihydroxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_185834
abbrev: FA 21:3;O3

20-ethyl PGF2alpha
type: Class
formula: C22H38O5
inchi: InChI=1S/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,20-,21+/m0/s1
inchikey: XSDVSOQSNGGUFY-GWSKAPOCSA-N
monoisotopicmass: 3.82271926E2
label: 9S,11R,15S-trihydroxy-20a,20b-dihomo-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_186979
abbrev: FA 22:3;O3

15-methyl-15R-PGF2alpha
type: Class
formula: C21H36O5
inchi: InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21-/m1/s1
inchikey: DLJKPYFALUEJCK-KKIXJVLHSA-N
monoisotopicmass: 3.68256276E2
label: 9S,11R,15R-trihydroxy-15-methyl-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_186036
abbrev: FA 21:3;O3

15-methyl-15R-PGF2alpha methyl ester
type: Class
formula: C22H38O5
inchi: InChI=1S/C22H38O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h6,8,13,15,17-20,23-24,26H,4-5,7,9-12,14,16H2,1-3H3/b8-6-,15-13+/t17-,18-,19+,20-,22+/m1/s1
inchikey: QQCOAAFKJZXJFP-XAYIDPIISA-N
monoisotopicmass: 3.82271926E2
label: methyl 9S,11R,15S-trihydroxy-15-methyl-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_191260
abbrev: FA 22:3;O3

17-phenyl-trinor-PGF2alpha amide
type: Class
formula: C23H33NO4
inchi: InChI=1S/C23H33NO4/c24-23(28)11-7-2-1-6-10-19-20(22(27)16-21(19)26)15-14-18(25)13-12-17-8-4-3-5-9-17/h1,3-6,8-9,14-15,18-22,25-27H,2,7,10-13,16H2,(H2,24,28)/b6-1-,15-14+/t18-,19+,20+,21-,22+/m0/s1
inchikey: RAGQWYIPCPFTJC-KDACTHKWSA-N
monoisotopicmass: 3.87240959E2
label: 9S,11R,15S-trihydroxy-17-phenyl-18,19,20-trinor-5Z,13E-prostadienamide
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_169171

17-phenyl-trinor-PGF2alpha isopropyl ester
type: Class
formula: C26H38O5
inchi: InChI=1S/C26H38O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,16-17,19,21-25,27-29H,4,9,12-15,18H2,1-2H3/b8-3-,17-16+/t21-,22+,23+,24-,25+/m0/s1
inchikey: JGZRPRSJSQLFBO-FWPUOYPASA-N
monoisotopicmass: 4.30271926E2
label: isopropyl 9S,11R,15S-trihydroxy-17-phenyl-18,19,20-trinor-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_137717
abbrev: FA 26:7;O3

6R,9S-epoxy-11R,15S-dihydroxy-13E-prostaenoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h10-11,14-19,21-22H,2-9,12-13H2,1H3,(H,23,24)/b11-10+/t14-,15+,16+,17+,18+,19-/m0/s1
inchikey: RJADQDXZYFCVHV-WDONHGPHSA-N
monoisotopicmass: 3.54240626E2
label: 6alpha-PGI1
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_141586
abbrev: FA 20:3;O3

6S,9R-epoxy-11R,15S-dihydroxy-13E-prostaenoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h10-11,14-19,21-22H,2-9,12-13H2,1H3,(H,23,24)/b11-10+/t14-,15-,16+,17+,18+,19+/m0/s1
inchikey: RJADQDXZYFCVHV-DHYPZIFBSA-N
monoisotopicmass: 3.54240626E2
label: 6beta-PGI1
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:3;O3

19-hydroxy-PGA2
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11-18,21-22H,3,5-10H2,1H3,(H,24,25)/b4-2-,13-11+/t15?,16-,17-,18+/m0/s1
inchikey: RXYQCXVUMLSFHM-CKCSCOOESA-N
monoisotopicmass: 3.50209326E2
label: 9oxo-15S,19-dihydroxy-5Z,10Z,13E-prostatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_192840
abbrev: FA 20:5;O3

9-oxo-15S-hydroxy-8(12),13E-prostadienoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1
inchikey: YBHMPNRDOVPQIN-VSOYFRJCSA-N
monoisotopicmass: 3.36230061E2
label: PGB1
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_27624
abbrev: FA 20:4;O2

19-hydroxy-PGB2
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11,13,15,17,21-22H,3,5-10,12,14H2,1H3,(H,24,25)/b4-2-,13-11+/t15?,17-/m0/s1
inchikey: PPYRMVKHPFIXEU-BAKUXOMWSA-N
monoisotopicmass: 3.50209326E2
label: 9-oxo-15S,19-dihydroxy-5Z,8(12),13E-prostatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_140492
abbrev: FA 20:5;O3

9-oxo-15S-hydroxy-5Z,11Z,13E-prostatrienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-14,17-18,21H,2-3,5-6,8-11,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-,18+/m0/s1
inchikey: CMBOTAQMTNMTBD-KLASNZEFSA-N
monoisotopicmass: 3.34214411E2
label: PGC2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_27555
abbrev: FA 20:5;O2

9-oxo-11R,15S-dihydroxy-13E-prostaenoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
inchikey: GMVPRGQOIOIIMI-DWKJAMRDSA-N
monoisotopicmass: 3.54240626E2
label: PGE1
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15544
equivalent class: SLM_000390038
abbrev: FA 20:3;O3

9-oxo-11R,15S-dihydroxy-5Z,13E,17Z-prostatrienoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1
inchikey: CBOMORHDRONZRN-QLOYDKTKSA-N
monoisotopicmass: 3.50209326E2
label: PGE3
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_28031
abbrev: FA 20:5;O3

9S,11R,15S-trihydroxy-13E-prostaenoic acid
type: Class
formula: C20H36O5
inchi: InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: DZUXGQBLFALXCR-CDIPTNKSSA-N
monoisotopicmass: 3.56256276E2
label: PGF1alpha
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_28852
abbrev: FA 20:2;O3

9S,11R,15S-trihydroxy-5Z,13E,17Z-prostatrienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-19,21-23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: SAKGBZWJAIABSY-SAMSIYEGSA-N
monoisotopicmass: 3.52224976E2
label: PGF3alpha
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_36075
abbrev: FA 20:4;O3

9S,11R-dihydroxy-15-oxo-2,3,4,5-tetranor-prostan-1,20-dioic acid
type: Class
formula: C16H26O7
inchi: InChI=1S/C16H26O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-14,18-19H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13-,14+/m1/s1
inchikey: IGRHJCFWWOQYQE-SYQHCUMBSA-N
monoisotopicmass: 3.30167856E2
label: Tetranor-PGFM
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_73989
abbrev: FA 16:3;O5

9-oxo-15S-hydroxy-5Z,10Z,13E,17Z-prostatetraenoic acid
type: Class
formula: C20H28O4
inchi: InChI=1S/C20H28O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h3-4,6-7,12-18,21H,2,5,8-11H2,1H3,(H,23,24)/b6-3-,7-4-,14-12+/t16-,17-,18+/m0/s1
inchikey: KSIRMUMXJFWKAC-FHJHOUOTSA-N
monoisotopicmass: 3.32198761E2
label: PGA3
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_134510
abbrev: FA 20:6;O2

9-oxo-15S-hydroxy-5Z,8(12),13E,17Z-prostatetraenoic acid
type: Class
formula: C20H28O4
inchi: InChI=1S/C20H28O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h3-4,6-7,12,14,17,21H,2,5,8-11,13,15H2,1H3,(H,23,24)/b6-3-,7-4-,14-12+/t17-/m0/s1
inchikey: DQRGQQAJYRBDRP-UNBCGXALSA-N
monoisotopicmass: 3.32198761E2
label: PGB3
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_134511
abbrev: FA 20:6;O2

9S,15S-dihydroxy-11-oxo-5Z,13E,17Z-prostatrienoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1
inchikey: ANOICLBSJIMQTA-WXGBOJPQSA-N
monoisotopicmass: 3.50209326E2
label: PGD3
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_34939
abbrev: FA 20:5;O3

9-oxo-11R,15S-dihydroxy-13E,17Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3,6,12-13,15-17,19,21,23H,2,4-5,7-11,14H2,1H3,(H,24,25)/b6-3-,13-12+/t15-,16+,17+,19+/m0/s1
inchikey: OFPLGKUICBQJOS-GAFLZONLSA-N
monoisotopicmass: 3.52224976E2
label: D17 PGE1
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165327
abbrev: FA 20:4;O3

13,14-dihydro-PGE1
type: Class
formula: C20H36O5
inchi: InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1
inchikey: DPOINJQWXDTOSF-DODZYUBVSA-N
monoisotopicmass: 3.56256276E2
label: 9-oxo-11R,15S-dihydroxy-prostanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_89310
abbrev: FA 20:2;O3

13,14-dihydro-15-keto-PGE1
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h16-17,19,23H,2-14H2,1H3,(H,24,25)/t16-,17-,19-/m1/s1
inchikey: CDUVSQMTLOYKTR-ZHALLVOQSA-N
monoisotopicmass: 3.54240626E2
label: 9,15-dioxo-11R-hydroxy-prostanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_134499
abbrev: FA 20:3;O3

15-keto-PGE1
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m1/s1
inchikey: VXPBDCBTMSKCKZ-XQHNHVHJSA-N
monoisotopicmass: 3.52224976E2
label: 9,15-dioxo-11R-hydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15548
equivalent class: SLM_000390039
abbrev: FA 20:4;O3

19R-hydroxy-PGE1
type: Class
formula: C20H34O6
inchi: InChI=1S/C20H34O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h11-12,14-17,19,21-22,24H,2-10,13H2,1H3,(H,25,26)/b12-11+/t14-,15+,16-,17-,19-/m1/s1
inchikey: QVVXWHIDRKRPMO-VOSXNNSYSA-N
monoisotopicmass: 3.70235541E2
label: 9-oxo-11R,15S,19R-trihydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165312
abbrev: FA 20:3;O4

5-trans-PGE2
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t15-,16+,17+,19+/m0/s1
inchikey: XEYBRNLFEZDVAW-BRNHSORCSA-N
monoisotopicmass: 3.52224976E2
label: 9-oxo-11R,15S-dihydroxy-5E,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:4;O3

6-oxo-9S,11R,15S-trihydroxy-13E,17Z-prostadienoic acid
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h3-4,10-11,14,16-19,21,23-24H,2,5-9,12-13H2,1H3,(H,25,26)/b4-3-,11-10+/t14-,16+,17+,18+,19-/m0/s1
inchikey: HFKNJQYMAGMXTR-CAPHXMBKSA-N
monoisotopicmass: 3.68219891E2
label: Delta17, 6-keto PGF1a
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_157745
abbrev: FA 20:4;O4

15-keto-PGF1alpha
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-19,22-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,18+,19-/m1/s1
inchikey: QPXXPLNAYDQELM-QNXXGYPUSA-N
monoisotopicmass: 3.54240626E2
label: 9S,11R-dihydroxy-15-oxo-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_72593
abbrev: FA 20:3;O3

N-(11R,15S-dihydroxy-9-oxo-5Z,13E-prostadienoyl)-ethanolamine
type: Class
formula: C22H37NO5
inchi: InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-19,21,24-25,27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,21+/m0/s1
inchikey: GKKWUSPPIQURFM-IGDGGSTLSA-N
monoisotopicmass: 3.95267174E2
label: PGE2-EA
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
subclass of: https://www.lipidmaps.org/rdf/category/10804
equivalent class: CHEBI_138793
abbrev: NAE 20:4;O3

N-(9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoyl)-ethanolamine
type: Class
formula: C22H37NO5
inchi: InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-20,24-26H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-/m0/s1
inchikey: KEYDJKSQFDUAGF-YIRKRNQHSA-N
monoisotopicmass: 3.95267174E2
label: PGD2-EA
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
subclass of: https://www.lipidmaps.org/rdf/category/10804
equivalent class: CHEBI_85174
abbrev: NAE 20:4;O3

2,3-dinor-5,6-dihydro-15-F2t-IsoP
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m0/s1
inchikey: XHHYJZGDOMKLEE-RLDLTEIJSA-N
monoisotopicmass: 3.28224976E2
label: 9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_34229
abbrev: FA 18:2;O3

1a,1b-dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C22H36O5
inchi: InChI=1S/C22H36O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-19,21,23,25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,21+/m0/s1
inchikey: PNKJEXAWAIJTRO-QKIVIXBWSA-N
monoisotopicmass: 3.80256276E2
label: 1a,1b-dihomo-PGE2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_185711
abbrev: FA 22:4;O3

1a,1b-dihomo-9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid
type: Class
formula: C22H36O5
inchi: InChI=1S/C22H36O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-20,23-24H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,20-/m0/s1
inchikey: GTNCJTYUJPEVBG-IBMUKCOMSA-N
monoisotopicmass: 3.80256276E2
label: 1a,1b-dihomo-PGD2
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 22:4;O3

1a,1b-dihomo-9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C22H38O5
inchi: InChI=1S/C22H38O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,20-,21+/m0/s1
inchikey: ZCTAOAWRUXSOQF-GWSKAPOCSA-N
monoisotopicmass: 3.82271926E2
label: 1a,1b-dihomo-PGF2alpha
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_183014
abbrev: FA 22:3;O3

1a,1b-dihomo-11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid
type: Class
formula: C22H34O4
inchi: InChI=1S/C22H34O4/c1-2-3-8-12-19(23)15-16-20-18(14-17-21(20)24)11-9-6-4-5-7-10-13-22(25)26/h6,9,14-20,23H,2-5,7-8,10-13H2,1H3,(H,25,26)/b9-6-,16-15+/t18-,19-,20+/m0/s1
inchikey: BVXBMWOFDUUSEM-VADMTLSYSA-N
monoisotopicmass: 3.62245711E2
label: 1a,1b-dihomo-PGJ2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165318
abbrev: FA 22:5;O2

1a,1b-dihomo-15-deoxy-delta-12,14-PGD2
type: Class
formula: C22H34O4
inchi: InChI=1S/C22H34O4/c1-2-3-4-5-8-11-14-18-19(21(24)17-20(18)23)15-12-9-6-7-10-13-16-22(25)26/h8-9,11-12,14,19,21,24H,2-7,10,13,15-17H2,1H3,(H,25,26)/b11-8+,12-9-,18-14+/t19-,21+/m1/s1
inchikey: FGAVXMGIBNHPKY-PMRZYBNXSA-N
monoisotopicmass: 3.62245711E2
label: 1a,1b-dihomo-9S-hydroxy-11-oxo-5Z,12E,14E-prostatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165317
abbrev: FA 22:5;O2

9-oxo-15S-hydroxy-11Z,13E-prostadienoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-14,17-18,21H,2-11,15H2,1H3,(H,23,24)/b14-12+/t17-,18+/m0/s1
inchikey: PUIBPGHAXSCVRF-QHFGJBOXSA-N
monoisotopicmass: 3.36230061E2
label: PGC1
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15546
abbrev: FA 20:4;O2

1a,1b-dihomo-11-oxo-5Z,9,12E,14Z-prostatetraenoic acid
type: Class
formula: C22H32O3
inchi: InChI=1S/C22H32O3/c1-2-3-4-5-9-12-15-20-19(17-18-21(20)23)14-11-8-6-7-10-13-16-22(24)25/h8-9,11-12,15,17-19H,2-7,10,13-14,16H2,1H3,(H,24,25)/b11-8-,12-9-,20-15+/t19-/m0/s1
inchikey: MRZOOBUCSKTIRB-XVVYJDRNSA-N
monoisotopicmass: 3.44235146E2
label: 1a,1b-dihomo-15-deoxy-delta-12,14-PGJ2
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 22:6;O

11-deoxy-PGF2beta
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-19,21-22H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+,19+/m0/s1
inchikey: YRFLKMLJQWGIIZ-LVJWDHJUSA-N
monoisotopicmass: 3.38245711E2
label: 9R,15S-dihydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_167820
abbrev: FA 20:3;O2

13,14-dihydro-19R-hydroxyPGE1
type: Class
formula: C20H36O6
inchi: InChI=1S/C20H36O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h14-17,19,21-22,24H,2-13H2,1H3,(H,25,26)/t14-,15+,16-,17-,19-/m1/s1
inchikey: HNLDBJMVKYEERT-FSNPWBFUSA-N
monoisotopicmass: 3.72251191E2
label: 9-oxo-11R,15S,19R-trihydroxy-prostanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165304
abbrev: FA 20:2;O4

19R-hydroxy-PGA2
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11-18,21-22H,3,5-10H2,1H3,(H,24,25)/b4-2-,13-11+/t15-,16+,17+,18-/m1/s1
inchikey: RXYQCXVUMLSFHM-HCLDBPGNSA-N
monoisotopicmass: 3.50209326E2
label: 9-oxo-15S,19R-dihydroxy-5Z,10Z,13E-prostatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165310
abbrev: FA 20:5;O3

19R-hydroxy-PGB2
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11,13,15,17,21-22H,3,5-10,12,14H2,1H3,(H,24,25)/b4-2-,13-11+/t15-,17+/m1/s1
inchikey: PPYRMVKHPFIXEU-NIDWPLIZSA-N
monoisotopicmass: 3.50209326E2
label: 9-oxo-15S,19R-dihydroxy-5Z,8(12),13E-prostatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165311
abbrev: FA 20:5;O3

13,14-dihydro-15-keto-PGF1alpha
type: Class
formula: C20H36O5
inchi: InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h16-19,22-23H,2-14H2,1H3,(H,24,25)/t16-,17-,18+,19-/m1/s1
inchikey: FVPKMMQYALWZHV-AKHDSKFASA-N
monoisotopicmass: 3.56256276E2
label: 9S,11R-dihydroxy-15-oxo-prostanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_134509
abbrev: FA 20:2;O3

2,3-dinor-PGE1
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,17+/m0/s1
inchikey: GTUGBRJEKVKOKQ-LRSAKWJDSA-N
monoisotopicmass: 3.26209326E2
label: 9-oxo-11R,15S-dihydroxy-2,3-dinor-13E-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165324
abbrev: FA 18:3;O3

9,11-dioxo-15S-hydroxy-13E-prostenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,21H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+/m0/s1
inchikey: KJWZYMMLVHIVSU-IYCNHOCDSA-N
monoisotopicmass: 3.52224976E2
label: PGK1
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165340
abbrev: FA 20:4;O3

15d-PGA1
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,22,23)/b9-6+,17-12-/t18-/m1/s1
inchikey: LDOCIRJMPUHXRM-YUJGFSRTSA-N
monoisotopicmass: 3.18219496E2
label: 9-oxo-10,12Z,14E-prostatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_185661
abbrev: FA 20:5;O

15-deoxy-delta-12,14-PGA2
type: Class
formula: C20H28O3
inchi: InChI=1S/C20H28O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6-7,9-10,12,15-16,18H,2-5,8,11,13-14H2,1H3,(H,22,23)/b9-6+,10-7-,17-12-/t18-/m1/s1
inchikey: BHHHGDAJJMEHST-NBIYZLHXSA-N
monoisotopicmass: 3.16203846E2
label: 9-oxo-5Z,10,12Z,14E-prostatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_63975
abbrev: FA 20:6;O

1,9S,11R,15S-tetrahydroxy-13E-prostaene
type: Class
formula: C20H38O4
inchi: InChI=1S/C20H38O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h12-13,16-24H,2-11,14-15H2,1H3/b13-12+/t16-,17+,18+,19-,20+/m0/s1
inchikey: PZXLDAYOXMEITH-YYFRNVAQSA-N
monoisotopicmass: 3.42277011E2
label: PGF1a alcohol
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_133875
abbrev: FA 20:1;O2

20-ethyl-PGE2
type: Class
formula: C22H36O5
inchi: InChI=1S/C22H36O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,14-15,17-19,21,23,25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,21+/m0/s1
inchikey: NXMMZTNQIJBMBC-QKIVIXBWSA-N
monoisotopicmass: 3.80256276E2
label: 20a,20b-dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165320
abbrev: FA 22:4;O3

11R-hydroxy-9,15-dioxo-2,3,4,5-tetranor-prostan-1,20-dioic acid-d6
type: Class
formula: C16H16D6O7
inchi: InChI=1S/C16H22O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h5-6,11-13,18H,1-4,7-9H2,(H,20,21)(H,22,23)/b6-5+/t11-,12-,13-/m1/s1/i1D2,2D2,4D2
inchikey: HEYYAAQQDGNHBU-HJQKXVDBSA-N
monoisotopicmass: 3.32174216E2
label: Tetranor-PGEM-d6
subclass of: https://www.lipidmaps.org/rdf/category/10301

11beta-PGF2alpha-d4
type: Class
formula: C20H30D4O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19-/m0/s1/i8D2,11D2
inchikey: PXGPLTODNUVGFL-KMUYITALSA-N
monoisotopicmass: 3.58265733E2
label: 9S,11S,15S-trihydroxy-5Z,13E-prostadienoic acid-d4
subclass of: https://www.lipidmaps.org/rdf/category/10301

11-oxo-5Z,9,12E,14Z-prostatetraenoic acid-d4
type: Class
formula: C20H24D4O3
inchi: InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6-,18-13+/t17-/m0/s1/i8D2,11D2
inchikey: VHRUMKCAEVRUBK-IYZFCGLQSA-N
monoisotopicmass: 3.20228952E2
label: 15-deoxy-delta-12,14-PGJ2-d4
subclass of: https://www.lipidmaps.org/rdf/category/10301

11,15-dioxo-9S-hydroxy-5Z-prostenoic acid-d4
type: Class
formula: C20H28D4O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+/m1/s1/i5D2,8D2
inchikey: VSRXYLYXIXYEST-URWDITFUSA-N
monoisotopicmass: 3.56250082E2
label: 13,14-dihydro-15-keto-PGD2-d4
subclass of: https://www.lipidmaps.org/rdf/category/10301

13,14-dihydro-15-keto-PGF2alpha-d4
type: Class
formula: C20H30D4O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19-/m1/s1/i5D2,8D2
inchikey: VKTIONYPMSCHQI-YFUTVRNWSA-N
monoisotopicmass: 3.58265733E2
label: 9S,11S-dihydroxy-15-oxo-5Z-prostenoic acid-d4
subclass of: https://www.lipidmaps.org/rdf/category/10301

15S-hydroxy-11-oxo-5Z,9Z,13E,17Z-prostatetraenoic acid
type: Class
formula: C20H28O4
inchi: InChI=1S/C20H28O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h3-4,6-7,12-18,21H,2,5,8-11H2,1H3,(H,23,24)/b6-3-,7-4-,14-13+/t16-,17-,18+/m0/s1
inchikey: DIBKBAMSPPKSTJ-BAILPSPNSA-N
monoisotopicmass: 3.32198761E2
label: PGJ3
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_140267
abbrev: FA 20:6;O2

1(3)-glyceryl-PGF2alpha
type: Class
formula: C23H40O7
inchi: InChI=1S/C23H40O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-22,24-28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,21-,22+/m0/s1
inchikey: NWKPOVHSHWJQNI-OMVDPNNKSA-N
monoisotopicmass: 4.28277406E2
label: 9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid 1(3)-glyceryl ester
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_90233
equivalent class: SLM_000501076
abbrev: FA 23:3;O5

2-glyceryl-PGF2alpha
type: Class
formula: C23H40O7
inchi: InChI=1S/C23H40O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-22,24-28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-,22+/m0/s1
inchikey: MCKWHVMNQVXLMH-PKBBWAGBSA-N
monoisotopicmass: 4.28277406E2
label: 9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid 2-glyceryl ester
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_137178
abbrev: FA 23:3;O5

2-glyceryl-PGD2
type: Class
formula: C23H38O7
inchi: InChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-/m0/s1
inchikey: OCYWGBZEVKVWBQ-PQGWWSFGSA-N
monoisotopicmass: 4.26261756E2
label: 9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid 2-glyceryl ester
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_133979
abbrev: FA 23:4;O5

1(3)-glyceryl-PGD2
type: Class
formula: C23H38O7
inchi: InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,21-/m0/s1
inchikey: AWSHXGOINMVSGP-LJAYCTNTSA-N
monoisotopicmass: 4.26261756E2
label: 9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid 1(3)-glyceryl ester
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_85232
equivalent class: SLM_000399848
abbrev: FA 23:4;O5

2-glyceryl-PGE2
type: Class
formula: C23H38O7
inchi: InChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,22+/m0/s1
inchikey: HJWDPZIOTMUWRW-CXZSOYKBSA-N
monoisotopicmass: 4.26261756E2
label: 9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid 2-glyceryl ester
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_137172
abbrev: FA 23:4;O5

1(3)-glyceryl-PGE2
type: Class
formula: C23H38O7
inchi: InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,22+/m0/s1
inchikey: RJXVYMMSQBYEHN-LVXZDWGESA-N
monoisotopicmass: 4.26261756E2
label: 9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid 1(3)-glyceryl ester
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_90230
equivalent class: SLM_000501075
abbrev: FA 23:4;O5

1(3)-glyceryl-6-keto-PGF1alpha
type: Class
formula: C23H40O8
inchi: InChI=1S/C23H40O8/c1-2-3-4-7-16(25)10-11-19-20(22(29)13-21(19)28)12-17(26)8-5-6-9-23(30)31-15-18(27)14-24/h10-11,16,18-22,24-25,27-29H,2-9,12-15H2,1H3/b11-10+/t16-,18?,19+,20+,21+,22-/m0/s1
inchikey: MPSATYYKSWVJNQ-NSZXNXEKSA-N
monoisotopicmass: 4.44272321E2
label: 6-oxo-9S,11R,15S-trihydroxy-13E-prostenoic acid 1(3)-glyceryl ester
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_169397
abbrev: FA 23:3;O6

2-glyceryl-6-keto-PGF1alpha
type: Class
formula: C23H40O8
inchi: InChI=1S/C23H40O8/c1-2-3-4-7-16(26)10-11-19-20(22(29)13-21(19)28)12-17(27)8-5-6-9-23(30)31-18(14-24)15-25/h10-11,16,18-22,24-26,28-29H,2-9,12-15H2,1H3/b11-10+/t16-,19+,20+,21+,22-/m0/s1
inchikey: WAUOUVMBULAJKP-KSSVOKGRSA-N
monoisotopicmass: 4.44272321E2
label: 6-oxo-9S,11R,15S-trihydroxy-13E-prostenoic acid 2-glyceryl ester
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_169801
abbrev: FA 23:3;O6

2-glyceryl-PGH2
type: Class
formula: C23H38O7
inchi: InChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21-14-22(20)30-29-21)10-7-4-5-8-11-23(27)28-18(15-24)16-25/h4,7,12-13,17-22,24-26H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-,22+/m0/s1
inchikey: XWDRGTGPJCBPGC-PKBBWAGBSA-N
monoisotopicmass: 4.26261756E2
label: 9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid 2-glyceryl ester
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_85166
equivalent class: SLM_000390175
abbrev: FA 23:4;O5

1(3)-glyceryl-PGH2
type: Class
formula: C23H38O7
inchi: InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21-14-22(20)30-29-21)10-7-4-5-8-11-23(27)28-16-18(26)15-24/h4,7,12-13,17-22,24-26H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,21-,22+/m0/s1
inchikey: ITTYJJFCGKAYRE-OMVDPNNKSA-N
monoisotopicmass: 4.26261756E2
label: 9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid 1(3)-glyceryl ester
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 23:4;O5

N-(1,3-dihydroxypropan-2-yl)-9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoyl amine
type: Class
formula: C23H39NO6
inchi: InChI=1S/C23H39NO6/c1-2-3-6-9-18(27)12-13-20-19(21(28)14-22(20)29)10-7-4-5-8-11-23(30)24-17(15-25)16-26/h4,7,12-13,17-21,25-28H,2-3,5-6,8-11,14-16H2,1H3,(H,24,30)/b7-4-,13-12+/t18-,19+,20+,21-/m0/s1
inchikey: YRUGYYZQISUWGN-AVMYJHFGSA-N
monoisotopicmass: 4.25277739E2
label: PGD2-dihydroxypropanylamine
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_186665

N-(1,3-dihydroxypropan-2-yl)-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoyl amine
type: Class
formula: C23H39NO6
inchi: InChI=1S/C23H39NO6/c1-2-3-6-9-18(27)12-13-20-19(21(28)14-22(20)29)10-7-4-5-8-11-23(30)24-17(15-25)16-26/h4,7,12-13,17-20,22,25-27,29H,2-3,5-6,8-11,14-16H2,1H3,(H,24,30)/b7-4-,13-12+/t18-,19+,20+,22+/m0/s1
inchikey: QJOORAQHWWTUIP-HIGMCGMBSA-N
monoisotopicmass: 4.25277739E2
label: PGE2-dihydroxypropanylamine
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_186482

N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine
type: Class
formula: C23H41NO6
inchi: InChI=1S/C23H41NO6/c1-2-3-6-9-18(27)12-13-20-19(21(28)14-22(20)29)10-7-4-5-8-11-23(30)24-17(15-25)16-26/h4,7,12-13,17-22,25-29H,2-3,5-6,8-11,14-16H2,1H3,(H,24,30)/b7-4-,13-12+/t18-,19+,20+,21-,22+/m0/s1
inchikey: IRAOUIWKWHBHDC-GKUWGJHRSA-N
monoisotopicmass: 4.27293389E2
label: PGF2alpha-dihydroxypropanylamine
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_180456

7R-hydroxy-5,11-dioxotetranorprostane-1,16-dioic acid
type: Class
formula: C16H24O7
inchi: InChI=1S/C16H24O7/c17-10(3-1-5-15(20)21)9-14(19)12-7-8-13(18)11(12)4-2-6-16(22)23/h11-12,14,19H,1-9H2,(H,20,21)(H,22,23)/t11-,12+,14-/m1/s1
inchikey: XWBICGCZKGTPCH-MBNYWOFBSA-N
monoisotopicmass: 3.28152205E2
label: Prostaglandin M
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_186746
abbrev: FA 16:4;O5

6,9S-epoxy-11R,15S-dihydoxy-5Z,13E-1a,1b-dihomo-prostadienoic acid
type: Class
formula: C22H36O5
inchi: InChI=1S/C22H36O5/c1-2-3-6-9-16(23)12-13-18-19-14-17(27-21(19)15-20(18)24)10-7-4-5-8-11-22(25)26/h10,12-13,16,18-21,23-24H,2-9,11,14-15H2,1H3,(H,25,26)/b13-12+,17-10-/t16-,18+,19+,20+,21-/m0/s1
inchikey: ITVMMMCBRSJVKT-HSGSPTTCSA-N
monoisotopicmass: 3.80256276E2
label: Dihomo-PGI2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165328
abbrev: FA 22:4;O3

11R,15S-dihydroxy-5Z,13E-prostadienoic acid-1,9S-lactone
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-15(21)12-13-16-17-10-7-4-5-8-11-20(23)24-19(17)14-18(16)22/h4,7,12-13,15-19,21-22H,2-3,5-6,8-11,14H2,1H3/b7-4-,13-12+/t15-,16+,17+,18+,19-/m0/s1
inchikey: ZVWMOTMHZYWJPF-WTKFZEAQSA-N
monoisotopicmass: 3.36230061E2
label: PGF2alpha-1,9-lactone
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_183614
abbrev: FA 20:4;O2

9S,11R-dihydroxy-5Z,13E,17Z-prostatrienoic acid-1,15S-lactone
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-15-12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24-15/h3-4,6-7,12-13,15-19,21-22H,2,5,8-11,14H2,1H3/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: PSLAHCPLUFYWAH-SAMSIYEGSA-N
monoisotopicmass: 3.34214411E2
label: PGF3alpha-1,15-lactone
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_184256
abbrev: FA 20:5;O2

9-oxo-11R-hydroxy-5Z,13E-prostadienoic acid-1,15S-lactone
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-15-12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24-15/h4,7,12-13,15-17,19,22H,2-3,5-6,8-11,14H2,1H3/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
inchikey: BJXHXZDHQUYRMA-ARSRFYASSA-N
monoisotopicmass: 3.34214411E2
label: PGE2 1,15-lactone
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_187977
abbrev: FA 20:5;O2

9-oxo-11R-hydroxy-5Z,13E,17Z-prostatrienoic acid-1,15S-lactone
type: Class
formula: C20H28O4
inchi: InChI=1S/C20H28O4/c1-2-3-6-9-15-12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24-15/h3-4,6-7,12-13,15-17,19,22H,2,5,8-11,14H2,1H3/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1
inchikey: BZTIGFGJIMLNRE-QLOYDKTKSA-N
monoisotopicmass: 3.32198761E2
label: PGE3 1,15-lactone
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165334
abbrev: FA 20:6;O2

9-oxo-5Z,10,13E-prostatrienoic acid-1,15S-lactone
type: Class
formula: C20H28O3
inchi: InChI=1S/C20H28O3/c1-2-3-6-9-17-14-12-16-13-15-19(21)18(16)10-7-4-5-8-11-20(22)23-17/h4,7,12-18H,2-3,5-6,8-11H2,1H3/b7-4-,14-12+/t16-,17-,18+/m0/s1
inchikey: XVEUTSYMDSLSBX-FOSBLDSVSA-N
monoisotopicmass: 3.16203846E2
label: PGA2 1,15-lactone
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_185788
abbrev: FA 20:6;O

15R-PGE2 methyl ester, 15-acetate
type: Class
formula: C23H36O6
inchi: InChI=1S/C23H36O6/c1-4-5-8-11-18(29-17(2)24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-3/h6,9,14-15,18-20,22,26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19-,20-,22-/m1/s1
inchikey: IDRDPQADACSXNY-ZQGVEFHQSA-N
monoisotopicmass: 4.08251191E2
label: methyl 9-oxo-11R-hydroxy-15R-acetoxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_185148
abbrev: FA 23:5;O4

15R-PGA2 methyl ester, 15-acetate
type: Class
formula: C23H34O5
inchi: InChI=1S/C23H34O5/c1-4-5-8-11-20(28-18(2)24)16-14-19-15-17-22(25)21(19)12-9-6-7-10-13-23(26)27-3/h6,9,14-17,19-21H,4-5,7-8,10-13H2,1-3H3/b9-6-,16-14+/t19-,20+,21+/m0/s1
inchikey: KURMKPDMINCWHJ-QPBHISEGSA-N
monoisotopicmass: 3.90240626E2
label: methyl 9-oxo-11R-hydroxy-15R-acetoxy-5Z,10,13E-prostatrienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_168746
abbrev: FA 23:6;O3

11beta-13,14-dihydro-15-keto PGF2alpha
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19+/m1/s1
inchikey: VKTIONYPMSCHQI-KGILNJEGSA-N
monoisotopicmass: 3.54240626E2
label: 9S,11R-dihydroxy-15-oxo-5Z-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_140931
abbrev: FA 20:3;O3

9,11-dihydroxy-15-oxo-20a,20b-dihomoprost-5Z-en-1-oic acid
type: Class
formula: C22H38O5
inchi: InChI=1S/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6-/t18-,19-,20+,21-/m1/s1
inchikey: TVHAZVBUYQMHBC-SNHXEXRGSA-N
monoisotopicmass: 3.82271926E2
label: Unoprostone
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_39455
abbrev: FA 22:3;O3

15-dehydro-prostaglandin I2
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,16-19,22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t16-,17-,18-,19+/m1/s1
inchikey: YCLHGWBUIYKBPM-ABXKVQRYSA-N
monoisotopicmass: 3.50209326E2
label: 6,9S-epoxy-11R-hydroxy-15-oxo-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15556
abbrev: FA 20:5;O3

15-keto-PGD2
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-18,22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+/m1/s1
inchikey: XEQAHADLFLAPQL-RBIQQSKKSA-N
monoisotopicmass: 3.50209326E2
label: 9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_15557
abbrev: FA 20:5;O3

N-(9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl)-ethanolamine(d4)
type: Class
formula: C22H35D4NO5
inchi: InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-,21+/m0/s1/i5D2,8D2
inchikey: XCVCLIRZZCGEMU-BREJCMGSSA-N
monoisotopicmass: 4.01307931E2
label: PGF2alpha-EA(d4)
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_196394

11beta-PGF2alpha-EA
type: Class
formula: C22H39NO5
inchi: InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-,21-/m0/s1
inchikey: XCVCLIRZZCGEMU-WMTHMIERSA-N
monoisotopicmass: 3.97282824E2
label: N-(9S,11S,15S-trihydroxy-5Z,13E-prostadienoyl)-ethanolamine
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_85175
equivalent class: SLM_000390099

N-(9-oxo-11R,15S-dihydroxy-13E-prostenoyl)-ethanolamine
type: Class
formula: C22H39NO5
inchi: InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h12-13,17-19,21,24-25,27H,2-11,14-16H2,1H3,(H,23,28)/b13-12+/t17-,18+,19+,21+/m0/s1
inchikey: HLQFDRCTTQBTCE-RCDOCOITSA-N
monoisotopicmass: 3.97282824E2
label: PGE1-EA
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165332

2,3-dinor-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C18H28O5
inchi: InChI=1S/C18H28O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-15,17,19,21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14+,15+,17+/m0/s1
inchikey: KEULKCWSUHLQGJ-ZRXREZFBSA-N
monoisotopicmass: 3.24193676E2
label: Dinor-PGE2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_73952
abbrev: FA 18:4;O3

2,3,4,5-tetranor-9-oxo-11R,15S-dihydroxy-13E-prostenoic acid
type: Class
formula: C16H26O5
inchi: InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h6-7,11-14,17-18H,2-5,8-10H2,1H3,(H,20,21)/b7-6+/t11-,12+,13+,14+/m0/s1
inchikey: FPTFFTMXBKQFKC-JZKKULJYSA-N
monoisotopicmass: 2.98178025E2
label: Tetranor-PGE1
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165344
abbrev: FA 16:3;O3

2,3-dinor-9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14+,15+,16-,17+/m0/s1
inchikey: IDKLJIUIJUVJNR-XJEQWDHQSA-N
monoisotopicmass: 3.26209326E2
label: Dinor-PGF2alpha
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165330
abbrev: FA 18:3;O3

2,3,4,5-tetranor-9S,11R,15S-trihydroxy-13E-prostenoic acid
type: Class
formula: C16H28O5
inchi: InChI=1S/C16H28O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h6-7,11-15,17-19H,2-5,8-10H2,1H3,(H,20,21)/b7-6+/t11-,12+,13+,14+,15-/m0/s1
inchikey: NPXVWXIFJJRRLX-BFBQWKKPSA-N
monoisotopicmass: 3.00193676E2
label: Tetranor-PGF1alpha
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165345
abbrev: FA 16:2;O3

2,3-dinor-9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid
type: Class
formula: C18H28O5
inchi: InChI=1S/C18H28O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-16,19-20H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14+,15+,16-/m0/s1
inchikey: FZIZOWJGWYHKEL-BVWFDSDTSA-N
monoisotopicmass: 3.24193676E2
label: Dinor-PGD2
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165329
abbrev: FA 18:4;O3

2,3,4,5-tetranor-9S,15S-dihydroxy-11-oxo-13E-prostenoic acid
type: Class
formula: C16H26O5
inchi: InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h6-7,11-13,15,17,19H,2-5,8-10H2,1H3,(H,20,21)/b7-6+/t11-,12+,13+,15-/m0/s1
inchikey: WWXNENYSZDYEHL-GLANRUKVSA-N
monoisotopicmass: 2.98178025E2
label: Tetranor-PGD1
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165342
abbrev: FA 16:3;O3

20-hydroxy-PGD2
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-18,21-23H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,18-/m0/s1
inchikey: NHVNZXCFDPPHDO-UYFMDZAVSA-N
monoisotopicmass: 3.68219891E2
label: 9S,15S,20-trihydroxy-11-oxo-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165321
abbrev: FA 20:4;O4

15S-hydroperoxy-PGE2
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-6-9-15(26-25)12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24/h4,7,12-13,15-17,19,22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
inchikey: RGQICUMNQVAHES-ARSRFYASSA-N
monoisotopicmass: 3.68219891E2
label: 9-oxo-11R-hydroxy-15S-hydroperoxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10104
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_185979
abbrev: FA 20:4;O4

N-(6,9S-epoxy-11R,15S-dihydoxy-5Z,13E-prostadienoyl)-ethanolamine
type: Class
formula: C22H37NO5
inchi: InChI=1S/C22H37NO5/c1-2-3-4-7-16(25)10-11-18-19-14-17(28-21(19)15-20(18)26)8-5-6-9-22(27)23-12-13-24/h8,10-11,16,18-21,24-26H,2-7,9,12-15H2,1H3,(H,23,27)/b11-10+,17-8-/t16-,18+,19+,20+,21-/m0/s1
inchikey: QLBALZYOTXGTDQ-VFFCLECNSA-N
monoisotopicmass: 3.95267174E2
label: PGI2-EA
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165338

N-(9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoyl)-ethanolamine
type: Class
formula: C23H39NO4
inchi: InChI=1S/C23H39NO4/c1-3-5-8-11-18(25)14-15-20-19(21-17-22(20)28-27-21)12-9-6-7-10-13-23(26)24-16-4-2/h6,9,14-15,18-22,25H,3-5,7-8,10-13,16-17H2,1-2H3,(H,24,26)/b9-6-,15-14+/t18-,19+,20+,21-,22+/m0/s1
inchikey: NBFLONVHOGNRHY-YNRDDPJXSA-N
monoisotopicmass: 3.93287909E2
label: PGH2-EA
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165337

15S-hydroperoxy-PGD2
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-6-9-15(26-25)12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24/h4,7,12-13,15-18,21,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
inchikey: BGTZBKUZEYECKP-OUTUXVNYSA-N
monoisotopicmass: 3.68219891E2
label: 9S-hydroxy-11-oxo-15S-hydroperoxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_185654
abbrev: FA 20:4;O4

9S-hydroxy-11,15-dioxo-2,3,4,5-tetranor-prostan-1,20-dioic acid
type: Class
formula: C16H24O7
inchi: InChI=1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-12,14,19H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,14+/m1/s1
inchikey: VNJBSPJILLFAIC-BZPMIXESSA-N
monoisotopicmass: 3.28152205E2
label: tetranor-PGDM
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_165343
abbrev: FA 16:4;O5

Sarcoehrendin A
type: Class
formula: C27H42O9
inchi: InChI=1S/C27H42O9/c1-6-21(34-18(2)28)13-14-22(35-19(3)29)15-16-24-23(25(31)17-26(24)36-20(4)30)11-9-7-8-10-12-27(32)33-5/h7,9,15-16,21-26,31H,6,8,10-14,17H2,1-5H3/b9-7-,16-15+/t21?,22-,23+,24+,25-,26+/m0/s1
inchikey: IRWUSEQYOHQTHP-KHBMTRKYSA-N
monoisotopicmass: 5.10282886E2
label: methyl 9S,hydroxy-11R,15S,18-triacetoxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 27:6;O7

Sarcoehrendin B
type: Class
formula: C29H44O10
inchi: InChI=1S/C29H44O10/c1-7-23(36-19(2)30)14-15-24(37-20(3)31)16-17-26-25(12-10-8-9-11-13-29(34)35-6)27(38-21(4)32)18-28(26)39-22(5)33/h8,10,16-17,23-28H,7,9,11-15,18H2,1-6H3/b10-8-,17-16+/t23?,24-,25+,26+,27-,28+/m0/s1
inchikey: UDXSBDAXYCWEFW-ZIQALQBSSA-N
monoisotopicmass: 5.52293451E2
label: methyl 9S,11R,15S,18-tetraacetoxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 29:7;O8

Sarcoehrendin C
type: Class
formula: C27H42O9
inchi: InChI=1S/C27H42O9/c1-6-22(34-18(2)28)15-13-21(31)14-16-24-23(11-9-7-8-10-12-27(32)33-5)25(35-19(3)29)17-26(24)36-20(4)30/h7,9,14,16,21-26,31H,6,8,10-13,15,17H2,1-5H3/b9-7-,16-14+/t21-,22?,23+,24+,25-,26+/m0/s1
inchikey: CUCRZDJHVWSMQX-XDIGYSIZSA-N
monoisotopicmass: 5.10282886E2
label: methyl 15S-hydroxy-9S,11R,18-triacetoxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 27:6;O7

Sarcoehrendin D
type: Class
formula: C27H40O9
inchi: InChI=1S/C27H40O9/c1-6-21(31)13-14-22(34-18(2)28)15-16-24-23(11-9-7-8-10-12-27(32)33-5)25(35-19(3)29)17-26(24)36-20(4)30/h7,9,15-16,22-26H,6,8,10-14,17H2,1-5H3/b9-7-,16-15+/t22-,23+,24+,25-,26+/m0/s1
inchikey: FOGILNKKGAILOG-PHYNBBKZSA-N
monoisotopicmass: 5.08267236E2
label: methyl 18-oxo-9S,11R,15S-triacetoxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 27:7;O7

Sarcoehrendin E
type: Class
formula: C23H36O7
inchi: InChI=1S/C23H36O7/c1-4-17(25)11-12-18(26)13-14-20-19(21(27)15-22(20)30-16(2)24)9-7-5-6-8-10-23(28)29-3/h5,7,13-14,18-22,26-27H,4,6,8-12,15H2,1-3H3/b7-5-,14-13+/t18-,19+,20+,21-,22+/m0/s1
inchikey: VIGLUEOSPLBVCN-NNRUNGOESA-N
monoisotopicmass: 4.24246106E2
label: methyl 18-oxo-9S,15S-dihydroxy-11R-acetoxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 23:5;O5

Sarcoehrendin F
type: Class
formula: C25H38O8
inchi: InChI=1S/C25H38O8/c1-5-19(28)12-13-20(32-17(2)26)14-15-22-21(23(29)16-24(22)33-18(3)27)10-8-6-7-9-11-25(30)31-4/h6,8,14-15,20-24,29H,5,7,9-13,16H2,1-4H3/b8-6-,15-14+/t20-,21+,22+,23-,24+/m0/s1
inchikey: RIGNIEQLKLSKOL-RLOFWGIPSA-N
monoisotopicmass: 4.66256671E2
label: methyl 18-oxo-9S,hydroxy-11R,15S-diacetoxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 25:6;O6

18-oxo-9S,hydroxy-11R,15S-diacetoxy-5Z,13E-prostadienoic acid
type: Class
formula: C24H36O8
inchi: InChI=1S/C24H36O8/c1-4-18(27)11-12-19(31-16(2)25)13-14-21-20(9-7-5-6-8-10-24(29)30)22(28)15-23(21)32-17(3)26/h5,7,13-14,19-23,28H,4,6,8-12,15H2,1-3H3,(H,29,30)/b7-5-,14-13+/t19-,20+,21+,22-,23+/m0/s1
inchikey: CPIJHEBONZDQHV-YPHBWWPFSA-N
monoisotopicmass: 4.52241021E2
label: Sarcoehrendin H
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 24:6;O6

18-oxo-9S,15S-dihydroxy-11R-acetoxy-5Z,13E-prostadienoic acid
type: Class
formula: C22H34O7
inchi: InChI=1S/C22H34O7/c1-3-16(24)10-11-17(25)12-13-19-18(8-6-4-5-7-9-22(27)28)20(26)14-21(19)29-15(2)23/h4,6,12-13,17-21,25-26H,3,5,7-11,14H2,1-2H3,(H,27,28)/b6-4-,13-12+/t17-,18+,19+,20-,21+/m0/s1
inchikey: MBXXYWAZPLLEGI-UCMMBFTCSA-N
monoisotopicmass: 4.10230456E2
label: Sarcoehrendin G
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 22:5;O5

Sarcoehrendin I
type: Class
formula: C25H40O7
inchi: InChI=1S/C25H40O7/c1-5-6-9-12-20(31-18(2)26)15-16-22-21(23(28)17-24(22)32-19(3)27)13-10-7-8-11-14-25(29)30-4/h10,13,15-16,20-24,28H,5-9,11-12,14,17H2,1-4H3/b13-10-,16-15+/t20-,21+,22+,23-,24+/m0/s1
inchikey: YFKVHMFAMUUTDI-HHNLZXQZSA-N
monoisotopicmass: 4.52277406E2
label: methyl-9S-hydroxy-11R,15S-diacetoxy-6Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 25:5;O5

Sarcoehrendin J
type: Class
formula: C25H42O7
inchi: InChI=1S/C25H42O7/c1-5-6-9-12-20(31-18(2)26)15-16-22-21(23(28)17-24(22)32-19(3)27)13-10-7-8-11-14-25(29)30-4/h15-16,20-24,28H,5-14,17H2,1-4H3/b16-15+/t20-,21+,22+,23-,24+/m0/s1
inchikey: UCDVJJUZUIUYBP-WUSXKSSPSA-N
monoisotopicmass: 4.54293056E2
label: methyl 9S-hydroxy-11R,15S-diacetoxy-13E-prostenoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 25:4;O5

20-hydroxy-PGE1
type: Class
formula: C20H34O6
inchi: InChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h11-12,15-17,19,21-22,24H,1-10,13-14H2,(H,25,26)/b12-11+/t15-,16+,17+,19+/m0/s1
inchikey: LDUBDFDZFOQXGF-HTGUDJHRSA-N
monoisotopicmass: 3.70235541E2
label: 9-oxo-11R,15S,20-trihydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_137526
abbrev: FA 20:3;O4

11-deoxyprostaglandin E2 methyl ester
type: Class
formula: C21H34O4
inchi: InChI=1S/C21H34O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h5,8,13,15,17-19,22H,3-4,6-7,9-12,14,16H2,1-2H3/b8-5-,15-13+/t17-,18-,19+/m0/s1
inchikey: TWECVLQAVWUYGO-PMPHTVEESA-N
monoisotopicmass: 3.50245711E2
label: Methyl 15S-hydroxy-5Z,13E-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 21:4;O2

11-deoxy-13,14-dihydro-15-keto-PGE2
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,16,18H,2-3,5-6,8-15H2,1H3,(H,23,24)/b7-4-/t16-,18+/m0/s1
inchikey: PCNTYYZBVYGRNZ-BFVRRIQPSA-N
monoisotopicmass: 3.36230061E2
label: 15-oxo-5Z-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:4;O2

15S-hydroxy-9-oxo-5E,8(12),13E-prostatrienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4+,14-12+/t17-/m0/s1
inchikey: PRFXRIUZNKLRHM-OSJNIVAESA-N
monoisotopicmass: 3.34214411E2
label: 5E-PGB2
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:5;O2

(5E)-13,14-dihydro-PGB2
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,17,21H,2-3,5-6,8-15H2,1H3,(H,23,24)/b7-4+/t17-/m0/s1
inchikey: JCDDULLUNTZPSY-PFWMLDTASA-N
monoisotopicmass: 3.36230061E2
label: 15S-hydroxy-9-oxo-5E,8(12),-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:4;O2

13,14-dihydro-PGB2
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,17,21H,2-3,5-6,8-15H2,1H3,(H,23,24)/b7-4-/t17-/m0/s1
inchikey: JCDDULLUNTZPSY-IMXKFXGHSA-N
monoisotopicmass: 3.36230061E2
label: 15S-hydroxy-9-oxo-5Z,8(12),-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:4;O2

13,14-dihydro-PGB2 methyl ester
type: Class
formula: C21H34O4
inchi: InChI=1S/C21H34O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h5,8,18,22H,3-4,6-7,9-16H2,1-2H3/b8-5-/t18-/m0/s1
inchikey: LNDCKIOHWISYAW-MTIYJEKLSA-N
monoisotopicmass: 3.50245711E2
label: methyl 15S-hydroxy-9-oxo-5Z,8(12),-prostadienoate
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 21:4;O2

11-oxo-9-(S-glutathionyl)-5Z,12E,14E-prostatetraenoic acid
type: Class
formula: C30H45N3O9S
inchi: InChI=1S/C30H45N3O9S/c1-2-3-4-5-6-9-12-20-21(13-10-7-8-11-14-27(36)37)25(17-24(20)34)43-19-23(29(40)32-18-28(38)39)33-26(35)16-15-22(31)30(41)42/h6-7,9-10,12,21-23,25H,2-5,8,11,13-19,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b9-6+,10-7-,20-12+/t21-,22+,23+,25?/m1/s1
inchikey: PJVSKAKTGJJITI-YPYHUWNQSA-N
monoisotopicmass: 6.23287653E2
label: 15dPGJ2-GS
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_183971

19-hydroxy-prostaglandin I2
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-13(21)5-4-6-14(22)9-10-16-17-11-15(7-2-3-8-20(24)25)26-19(17)12-18(16)23/h7,9-10,13-14,16-19,21-23H,2-6,8,11-12H2,1H3,(H,24,25)/b10-9+,15-7-/t13?,14-,16+,17+,18+,19-/m0/s1
inchikey: PGRXDTJFXIPRSO-QAQUDUTNSA-N
monoisotopicmass: 3.68219891E2
label: 6,9S-epoxy-11R,15S,19-trihydroxy-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_138582
abbrev: FA 20:4;O4

11-oxo-5Z,9Z,12E,14E,17Z-prostatetraenoic acid
type: Class
formula: C20H26O3
inchi: InChI=1S/C20H26O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h3-4,6-7,9-10,13,15-17H,2,5,8,11-12,14H2,1H3,(H,22,23)/b4-3-,9-7-,10-6+,18-13+/t17-/m0/s1
inchikey: QFTYCAAGCUOJNG-KRXWQEJVSA-N
monoisotopicmass: 3.14188195E2
label: 15-deoxyprostaglandin J3
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_140223
abbrev: FA 20:7;O

15S-hydroxy-11-oxo-5Z,9Z,12E,17Z-prostatetraenoic acid
type: Class
formula: C20H28O4
inchi: InChI=1S/C20H28O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h3-4,6-7,12,14-17,21H,2,5,8-11,13H2,1H3,(H,23,24)/b6-3-,7-4-,18-14+/t16-,17-/m0/s1
inchikey: MSLYURLMFHGOET-OLBAJUCDSA-N
monoisotopicmass: 3.32198761E2
label: Delta(12)-prostaglandin J3
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_140274
abbrev: FA 20:6;O2

8-[(1S,5R)-5-(2-carboxyethyl)-4-oxocyclopent-2-en-1-yl]-6-oxooctanoic acid
type: Class
formula: C16H22O6
inchi: InChI=1S/C16H22O6/c17-12(3-1-2-4-15(19)20)7-5-11-6-9-14(18)13(11)8-10-16(21)22/h6,9,11,13H,1-5,7-8,10H2,(H,19,20)(H,21,22)/t11-,13+/m0/s1
inchikey: HYPIFMOQVFWSBF-WCQYABFASA-N
monoisotopicmass: 3.1014164E2
label: Tetranor-PGAM
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_190816
abbrev: FA 16:5;O4

9alpha,11beta-dihydroxy-15-oxo-13,14-dihydro-2,3,18,19-tetranor-prostan-1,20-dioic acid
type: Class
formula: C16H24O7
inchi: InChI=1S/C16H24O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,11-14,18-19H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t11-,12-,13+,14+/m1/s1
inchikey: XSGSZQDCVYMZGQ-YQQXMBKZSA-N
monoisotopicmass: 3.28152205E2
label: PGDM
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:4;O5

13,14-dihydro-15-keto-tetranor Prostaglandin D2
type: Class
formula: C16H26O5
inchi: InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h12-13,15,19H,2-10H2,1H3,(H,20,21)/t12-,13-,15+/m1/s1
inchikey: CIXGXJHOQWHINC-NFAWXSAZSA-N
monoisotopicmass: 2.98178025E2
label: 9S-hydroxy-11,15-dioxo-2,3,4,5-tetranor-prostanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_193578
abbrev: FA 16:3;O3

11R-hydroxy-9,15-dioxo-2,3,4,5-tetranor-prostanoic acid
type: Class
formula: C16H26O5
inchi: InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h12-14,18H,2-10H2,1H3,(H,20,21)/t12-,13-,14-/m1/s1
inchikey: FGACPXKRXBKDQL-MGPQQGTHSA-N
monoisotopicmass: 2.98178025E2
label: 13,14-dihydro-15-keto-tetranor Prostaglandin E2
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_192587
abbrev: FA 16:3;O3

11,15-dioxo-2,3,4,5-tetranor-9-prosten-1,20-dioic acid
type: Class
formula: C16H22O6
inchi: InChI=1S/C16H22O6/c17-12(3-1-2-4-15(19)20)7-8-13-11(5-9-14(13)18)6-10-16(21)22/h5,9,11,13H,1-4,6-8,10H2,(H,19,20)(H,21,22)/t11-,13-/m1/s1
inchikey: KPFBKANRLYZJQP-DGCLKSJQSA-N
monoisotopicmass: 3.1014164E2
label: tetranor-PGJM
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_183603
abbrev: FA 16:5;O4

9alpha,15S-dihydroxy-11-oxo-prost-13E-en-1-oic-3,3,4,4-d4 acid
type: Class
formula: C20H30D4O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1/i5D2,8D2
inchikey: CIMMACURCPXICP-VRXRJXMLSA-N
monoisotopicmass: 3.58265733E2
label: PGD1-d4
subclass of: https://www.lipidmaps.org/rdf/category/10301

13,14-dihydro-15-keto-PGE2-d4
type: Class
formula: C20H28D4O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1/i5D2,8D2
inchikey: CUJMXIQZWPZMNQ-BQWYWOLISA-N
monoisotopicmass: 3.56250082E2
label: 9,15-dioxo-11R-hydroxy-5Z-prostenoic 3,3,4,4-d4 acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301

11-oxo-prosta-5Z,9,12E,14E-tetraen-1-oic-3,3,4,4-d4 acid
type: Class
formula: C20H24D4O3
inchi: InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1/i8D2,11D2
inchikey: VHRUMKCAEVRUBK-NSTSLKHFSA-N
monoisotopicmass: 3.20228952E2
label: 15-deoxy-delta-12,14-PGJ2-d4
subclass of: https://www.lipidmaps.org/rdf/category/10301

9-oxo-15S-hydroxy-prosta-5Z,8(12),13E-trien-1-oic-3,3,4,4-d4 acid
type: Class
formula: C20H26D4O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1/i5D2,8D2
inchikey: PRFXRIUZNKLRHM-GKNRUGNGSA-N
monoisotopicmass: 3.38239517E2
label: PGB2-d4
subclass of: https://www.lipidmaps.org/rdf/category/10301

9S-hydroxy-11,15-dioxo-2,3,4,5-tetranor-prostan-1,20-dioic-17,17,18,18,19,19-d6 acid
type: Class
formula: C16H18D6O7
inchi: InChI=1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-12,14,19H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,14+/m1/s1/i1D2,2D2,4D2
inchikey: VNJBSPJILLFAIC-OSZDNXCMSA-N
monoisotopicmass: 3.34189866E2
label: tetranor-PGDM-d6
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301

2,3-dinor-15-epi-15-F2t-IsoP
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14+,15-,16+,17-/m1/s1
inchikey: IDKLJIUIJUVJNR-WHLNSVFBSA-N
monoisotopicmass: 3.26209326E2
label: 9S,11R,15R-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:3;O3

13-epi-13-F1t-PhytoP
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m1/s1
inchikey: XHHYJZGDOMKLEE-ZRMZGJFNSA-N
monoisotopicmass: 3.28224976E2
label: 9S,11R,15R-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:2;O3

13,14-dihydro-15-keto-PGD1
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h16-18,22H,2-14H2,1H3,(H,24,25)/t16-,17-,18+/m1/s1
inchikey: WTCAXDJXNVRHRC-KURKYZTESA-N
monoisotopicmass: 3.54240626E2
label: 9S-hydroxy-11,15-dioxo-prostanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_193200
abbrev: FA 20:3;O3

9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic-17,17,18,18,19,19,20,20,20-d9 acid
type: Class
formula: C20H23D9O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1/i1D3,2D2,3D2,6D2
inchikey: BHMBVRSPMRCCGG-UVUOTMQPSA-N
monoisotopicmass: 3.61281466E2
label: PGD2-d9
subclass of: https://www.lipidmaps.org/rdf/category/10301

9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic-17,17,18,18,19,19,20,20,20-d9 acid
type: Class
formula: C20H23D9O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1/i1D3,2D2,3D2,6D2
inchikey: XEYBRNLFEZDVAW-GMIZMOFXSA-N
monoisotopicmass: 3.61281466E2
label: PGE2-d9
subclass of: https://www.lipidmaps.org/rdf/category/10301

8-iso-PGF1alpha
type: Class
formula: C20H36O5
inchi: InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17+,18-,19+/m0/s1
inchikey: DZUXGQBLFALXCR-PUCCXBQTSA-N
monoisotopicmass: 3.56256276E2
label: 9S,11R,15S-trihydroxy-13E-prostaenoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_192540
abbrev: FA 20:2;O3

5-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pentanoic acid
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m1/s1
inchikey: XHHYJZGDOMKLEE-DDGADJJWSA-N
monoisotopicmass: 3.28224976E2
label: ent-2,3-dinor-5,6-dihydro-15-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:2;O3

20-carboxy-13,14-dihydro-15-keto-tetranor PGF2beta
type: Class
formula: C16H26O7
inchi: InChI=1S/C16H26O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-14,18-19H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13-,14-/m1/s1
inchikey: IGRHJCFWWOQYQE-AAVRWANBSA-N
monoisotopicmass: 3.30167856E2
label: 9R,11R-dihydroxy-15-oxo-2,3,4,5-tetranor-prostane-1,20-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:3;O5

13,14-dihydro-15-keto-tetranor PGF2beta
type: Class
formula: C16H28O5
inchi: InChI=1S/C16H28O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h12-15,18-19H,2-10H2,1H3,(H,20,21)/t12-,13-,14-,15-/m1/s1
inchikey: UIZLUZTVNFGFMX-KBUPBQIOSA-N
monoisotopicmass: 3.00193676E2
label: 9R,11R-dihydroxy-15-oxo-2,3,4,5-tetranor-prostanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_183852
abbrev: FA 16:2;O3

20-carboxy-PGE1
type: Class
formula: C20H32O7
inchi: InChI=1S/C20H32O7/c21-14(7-5-6-10-20(26)27)11-12-16-15(17(22)13-18(16)23)8-3-1-2-4-9-19(24)25/h11-12,14-16,18,21,23H,1-10,13H2,(H,24,25)(H,26,27)/b12-11+/t14-,15+,16+,18+/m0/s1
inchikey: IOSNGMVUJDOUCM-YLVODBDGSA-N
monoisotopicmass: 3.84214806E2
label: 9-oxo-11R,15S,20-trihydroxy-13E-prosten-1,20-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:4;O5

19-hydroxyPGE2
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h2,4,11-12,14-17,19,21-22,24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/t14?,15-,16+,17+,19+/m0/s1
inchikey: WTJYDBMHYPQFNJ-KAZIPQMNSA-N
monoisotopicmass: 3.68219891E2
label: 9-oxo-11R,15S,19-trihydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:4;O4

2,3,4,5-tetranor PGF3alpha
type: Class
formula: C16H26O5
inchi: InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h3-4,6-7,11-15,17-19H,2,5,8-10H2,1H3,(H,20,21)/b4-3-,7-6+/t11-,12+,13+,14+,15-/m0/s1
inchikey: GUIQMLJMOSHVFS-AUQOMAEESA-N
monoisotopicmass: 2.98178025E2
label: 9S,11S,15S trihydroxy-2,3,4,5-tetranorprosta-13,17-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:3;O3

9S,11R-dihydroxy-15-keto-2,3,4,5-tetranorprosta-17Z-enoic acid
type: Class
formula: C16H26O5
inchi: InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h3-4,12-15,18-19H,2,5-10H2,1H3,(H,20,21)/b4-3-/t12-,13-,14-,15+/m1/s1
inchikey: HAPUWTOSXUIIDJ-PBAVIHEZSA-N
monoisotopicmass: 2.98178025E2
label: alpha-tetranor 15keto-13,14-dihydro PGF3alpha
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:3;O3

5,6-dihydro-2,3-dinor-PGF3alpha
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h3-4,10-11,13-17,19-21H,2,5-9,12H2,1H3,(H,22,23)/b4-3-,11-10+/t13-,14+,15+,16-,17+/m0/s1
inchikey: CDDNMNAZKJUIPC-AOLFIULRSA-N
monoisotopicmass: 3.26209326E2
label: 7R,9S,13S-trihydr-dinor-prosta- 11,15-dienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:3;O3

13,14-dihydro-20-hydroxy-15-oxoprostaglandin F2alpha
type: Class
formula: C20H34O6
inchi: InChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,16-19,21,23-24H,2-4,6-14H2,(H,25,26)/b5-1-/t16-,17-,18+,19-/m1/s1
inchikey: ZIJIPTKNEYZBMK-CBFBGTOSSA-N
monoisotopicmass: 3.70235541E2
label: 9S,11R,20-trihydroxy-15-oxo-5Z-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:3;O4

13,14-dihydro-20-hydroxy-15-oxo-20-carboxy-PGF2alpha
type: Class
formula: C20H32O7
inchi: InChI=1S/C20H32O7/c21-14(7-5-6-10-20(26)27)11-12-16-15(17(22)13-18(16)23)8-3-1-2-4-9-19(24)25/h1,3,15-18,22-23H,2,4-13H2,(H,24,25)(H,26,27)/b3-1-/t15-,16-,17+,18-/m1/s1
inchikey: ZOMSIHPATHBPLP-WBIFQALJSA-N
monoisotopicmass: 3.84214806E2
label: 9S,11R,20-trihydroxy-15-oxo-5Z-prosten-1,20dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_73974
abbrev: FA 20:4;O5

19R-hydroxy-PGB1
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h11,13,15,17,21-22H,2-10,12,14H2,1H3,(H,24,25)/b13-11+/t15-,17+/m1/s1
inchikey: DWVUWBBXUQKSAO-SADTYBKJSA-N
monoisotopicmass: 3.52224976E2
label: 9-oxo-15S,19R-dihydroxy-8(12),13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:4;O3

19-hydroxy-6-keto-PGF1alpha
type: Class
formula: C20H34O7
inchi: InChI=1S/C20H34O7/c1-13(21)5-4-7-14(22)9-10-16-17(19(25)12-18(16)24)11-15(23)6-2-3-8-20(26)27/h9-10,13-14,16-19,21-22,24-25H,2-8,11-12H2,1H3,(H,26,27)/b10-9+/t13?,14-,16+,17+,18+,19-/m0/s1
inchikey: CLWHVWFLLJYCII-XPAMPHAASA-N
monoisotopicmass: 3.86230456E2
label: 6-oxo-9S,11R,15S,19-tetrahydroxy-13E-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:3;O5

15-keto-13,14-dihydro-PGA1
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h13,15-16,18H,2-12,14H2,1H3,(H,23,24)/t16-,18+/m0/s1
inchikey: GWULZQZSIXKEEX-FUHWJXTLSA-N
monoisotopicmass: 3.36230061E2
label: 9,15-dioxo-10-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:4;O2

2,3-dinor-PGB1
type: Class
formula: C18H28O4
inchi: InChI=1S/C18H28O4/c1-2-3-4-7-15(19)12-10-14-11-13-17(20)16(14)8-5-6-9-18(21)22/h10,12,15,19H,2-9,11,13H2,1H3,(H,21,22)/b12-10+/t15-/m0/s1
inchikey: HMNYHSIISSKMAO-PABFRNLHSA-N
monoisotopicmass: 3.08198761E2
label: 9-oxo-15S-hydroxy-8(12),13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:4;O2

2,3,4,5-tetranor-PGB1
type: Class
formula: C16H24O4
inchi: InChI=1S/C16H24O4/c1-2-3-4-5-13(17)8-6-12-7-10-15(18)14(12)9-11-16(19)20/h6,8,13,17H,2-5,7,9-11H2,1H3,(H,19,20)/b8-6+/t13-/m0/s1
inchikey: HRUGYGLOXPYXAH-CFNZNRNTSA-N
monoisotopicmass: 2.8016746E2
label: 9-oxo-15S-hydroxy-8(12),13E-2,3,4,5-tetranor-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:4;O2

11,15-dioxo-9S-hydroxy-2,3-dinor-5Z-prostenoic acid
type: Class
formula: C18H28O5
inchi: InChI=1S/C18H28O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,14-16,20H,2-4,7-12H2,1H3,(H,22,23)/b6-5-/t14-,15-,16+/m1/s1
inchikey: PPYGOQLBISXMRD-YNOVSXENSA-N
monoisotopicmass: 3.24193676E2
label: 2,3-dinor-13,14-dihydro-15-keto-PGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:4;O3

11,15-dioxo-9S,20-dihydroxy-2,3-dinor-5Z-prostenoic acid
type: Class
formula: C18H28O6
inchi: InChI=1S/C18H28O6/c19-11-5-1-2-6-13(20)9-10-15-14(16(21)12-17(15)22)7-3-4-8-18(23)24/h3-4,14-16,19,21H,1-2,5-12H2,(H,23,24)/b4-3-/t14-,15-,16+/m1/s1
inchikey: KTCVXTYYHKBNCT-OFMMPJDCSA-N
monoisotopicmass: 3.40188591E2
label: omega-hydroxy-2,3-dinor-13,14-dihydro-15-keto-PGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:4;O4

11,15-dioxo-9S-hydroxy-2,3-dinor-5Z-prosten-1,20-dioic acid
type: Class
formula: C18H26O7
inchi: InChI=1S/C18H26O7/c19-12(5-1-3-7-17(22)23)9-10-14-13(15(20)11-16(14)21)6-2-4-8-18(24)25/h2,4,13-15,20H,1,3,5-11H2,(H,22,23)(H,24,25)/b4-2-/t13-,14-,15+/m1/s1
inchikey: OKEVQLMJQDDRLO-MDQLWMCGSA-N
monoisotopicmass: 3.54167856E2
label: omega-carboxy-2,3-dinor-13,14-dihydro-15-keto-PGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:5;O5

9-Hydroxy-11,15-dioxo-2,3,18,19-tetranorprost-5-ene-1,20-dioic acid
type: Class
formula: C16H22O7
inchi: InChI=1S/C16H22O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,11-13,18H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t11-,12-,13+/m1/s1
inchikey: QRKPLLLQZJCOLR-BWEANOATSA-N
monoisotopicmass: 3.26136555E2
label: omega-carboxy-2,3,18,19-tetranor-13,14-dihydro-15-keto-PGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:5;O5

5,6-dihydroxy PGE1
type: Class
formula: C20H34O7
inchi: InChI=1S/C20H34O7/c1-2-3-4-6-13(21)9-10-14-15(18(24)12-17(14)23)11-19(25)16(22)7-5-8-20(26)27/h9-10,13-17,19,21-23,25H,2-8,11-12H2,1H3,(H,26,27)/b10-9+/t13-,14+,15+,16?,17+,19?/m0/s1
inchikey: WHDGPBGXORYVJU-ZQTGKMASSA-N
monoisotopicmass: 3.86230456E2
label: 9-oxo-5,6,11R,15S-tetrahydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:3;O5

2,3-dinor-9S,15S,20-trihydroxy-11-oxo-5Z,13E-prostadienoic acid
type: Class
formula: C18H28O6
inchi: InChI=1S/C18H28O6/c19-11-5-1-2-6-13(20)9-10-15-14(16(21)12-17(15)22)7-3-4-8-18(23)24/h3-4,9-10,13-16,19-21H,1-2,5-8,11-12H2,(H,23,24)/b4-3-,10-9+/t13-,14+,15+,16-/m0/s1
inchikey: CHVMSZVREDFSKW-JEZUUBLBSA-N
monoisotopicmass: 3.40188591E2
label: 20-hydroxy Dinor-PGD2
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:4;O4

13,14-dihydro-15-keto-20-hydroxy 2,3,4,5-tetranor-PGD2
type: Class
formula: C16H26O6
inchi: InChI=1S/C16H26O6/c17-9-3-1-2-4-11(18)5-6-12-13(7-8-16(21)22)15(20)10-14(12)19/h12-13,15,17,20H,1-10H2,(H,21,22)/t12-,13-,15+/m1/s1
inchikey: AKQFWJBYAQGGAB-NFAWXSAZSA-N
monoisotopicmass: 3.1417294E2
label: 2,3,4,5-tetranor-9S,20-trihydroxy-11,15-dioxo-5Z-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:3;O4

19-hydroxy-2,3-dinor-6-oxo-PGF1alpha
type: Class
formula: C18H30O7
inchi: InChI=1S/C18H30O7/c1-11(19)3-2-4-12(20)5-7-14-15(17(23)10-16(14)22)9-13(21)6-8-18(24)25/h5,7,11-12,14-17,19-20,22-23H,2-4,6,8-10H2,1H3,(H,24,25)/b7-5+/t11?,12-,14+,15+,16+,17-/m0/s1
inchikey: CCDLUYBTWPYEFY-VKOLDSHFSA-N
monoisotopicmass: 3.58199156E2
label: 9S,11R,15S,19-tetrahydroxy-2,3-dinor-6-oxo-13E-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_73951
abbrev: FA 18:3;O4

2,3-dinor-6,19-dioxo-PGF1alpha
type: Class
formula: C18H28O7
inchi: InChI=1S/C18H28O7/c1-11(19)3-2-4-12(20)5-7-14-15(17(23)10-16(14)22)9-13(21)6-8-18(24)25/h5,7,12,14-17,20,22-23H,2-4,6,8-10H2,1H3,(H,24,25)/b7-5+/t12-,14+,15+,16+,17-/m0/s1
inchikey: HOINUGXRQRNDFC-UUIHAMGFSA-N
monoisotopicmass: 3.56183506E2
label: 9S,11R,15S-trihydroxy-2,3-dinor-6,19-dioxo-13E-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:4;O5

20-hydroxy-tetranor-PGB2
type: Class
formula: C16H24O5
inchi: InChI=1S/C16H24O5/c17-11-3-1-2-4-13(18)7-5-12-6-9-15(19)14(12)8-10-16(20)21/h5,7,13,17-18H,1-4,6,8-11H2,(H,20,21)/b7-5+/t13-/m0/s1
inchikey: SKUUPBXRFKEQMQ-IYNGYCSASA-N
monoisotopicmass: 2.96162375E2
label: 9-oxo-15S,20-dihydroxy-8(12),13E-2,3,4,5-tetranor-prostadiienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:4;O3

20-carboxy-tetranor-PGB2
type: Class
formula: C16H22O6
inchi: InChI=1S/C16H22O6/c17-12(3-1-2-4-15(19)20)7-5-11-6-9-14(18)13(11)8-10-16(21)22/h5,7,12,17H,1-4,6,8-10H2,(H,19,20)(H,21,22)/b7-5+/t12-/m0/s1
inchikey: AUAYKNBGLDOABN-PZBABLGHSA-N
monoisotopicmass: 3.1014164E2
label: 9-oxo-15S-hydroxy-8(12),13E-2,3,4,5-tetranor-prostadien-1,20-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:5;O4

19-hydroxy-tetranor-PGB2
type: Class
formula: C16H24O5
inchi: InChI=1S/C16H24O5/c1-11(17)3-2-4-13(18)7-5-12-6-9-15(19)14(12)8-10-16(20)21/h5,7,11,13,17-18H,2-4,6,8-10H2,1H3,(H,20,21)/b7-5+/t11?,13-/m0/s1
inchikey: YGUONHBDMPQETQ-WSBXXSCSSA-N
monoisotopicmass: 2.96162375E2
label: 9-oxo-15S,19-dihydroxy-8(12),13E-2,3,4,5-tetranor-prostadiienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:4;O3

2,3-dinor-PGF1alpha
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17+/m0/s1
inchikey: XHHYJZGDOMKLEE-IJKMCFRVSA-N
monoisotopicmass: 3.28224976E2
label: 9S,11R,15S-trihydroxy-13E-2,3-dinor-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:2;O3

9S,11R-dihydroxy-15-oxo-13,14-dihydro-2,3-dinor-PGF1alpha
type: Class
formula: C18H32O5
inchi: InChI=1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h14-17,20-21H,2-12H2,1H3,(H,22,23)/t14-,15-,16+,17-/m1/s1
inchikey: QISMVWUPYAEERJ-WCXIOVBPSA-N
monoisotopicmass: 3.28224976E2
label: 9S,11R-dihydroxy-15-oxo-2,3-dinor-prostanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:2;O3

5,6,9R,11R,15S-pentahydroxy-13E-prostaenoic acid
type: Class
formula: C20H36O7
inchi: InChI=1S/C20H36O7/c1-2-3-4-6-13(21)9-10-14-15(18(24)12-17(14)23)11-19(25)16(22)7-5-8-20(26)27/h9-10,13-19,21-25H,2-8,11-12H2,1H3,(H,26,27)/b10-9+/t13-,14+,15+,16?,17+,18+,19?/m0/s1
inchikey: SAAOVBGAFHJPIF-ANCVSKQCSA-N
monoisotopicmass: 3.88246106E2
label: 5,6-dihydroxy-PGF1beta
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:2;O5

5beta-hydroxy-6alpha-PGI1
type: Class
formula: C20H34O6
inchi: InChI=1S/C20H34O6/c1-2-3-4-6-13(21)9-10-14-15-11-19(26-18(15)12-17(14)23)16(22)7-5-8-20(24)25/h9-10,13-19,21-23H,2-8,11-12H2,1H3,(H,24,25)/b10-9+/t13-,14+,15+,16-,17+,18-,19-/m0/s1
inchikey: QDAJZCYWALSQIG-QSXTXFDWSA-N
monoisotopicmass: 3.70235541E2
label: 6R,9S-epoxy-5S,11R,15S-trihydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:3;O4

5alpha-hydroxy-6beta-PGI1
type: Class
formula: C20H34O6
inchi: InChI=1S/C20H34O6/c1-2-3-4-6-13(21)9-10-14-15-11-19(26-18(15)12-17(14)23)16(22)7-5-8-20(24)25/h9-10,13-19,21-23H,2-8,11-12H2,1H3,(H,24,25)/b10-9+/t13-,14+,15+,16+,17+,18-,19+/m0/s1
inchikey: QDAJZCYWALSQIG-IXPRNCCBSA-N
monoisotopicmass: 3.70235541E2
label: 6R,9S-epoxy-5R,11R,15S-trihydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:3;O4

20-carboxy-PGB1
type: Class
formula: C20H30O6
inchi: InChI=1S/C20H30O6/c21-16(7-5-6-10-20(25)26)13-11-15-12-14-18(22)17(15)8-3-1-2-4-9-19(23)24/h11,13,16,21H,1-10,12,14H2,(H,23,24)(H,25,26)/b13-11+/t16-/m0/s1
inchikey: UCDFJTBYLHKGRA-BYIUCRAPSA-N
monoisotopicmass: 3.66204241E2
label: 9-oxo-15S-hydroxy-8(12),13E-prostadien-1,20-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:5;O4

20-hydroxy-13,14-dihydro 2,3,4,5-tetranor- PGF2alpha
type: Class
formula: C16H30O6
inchi: InChI=1S/C16H30O6/c17-9-3-1-2-4-11(18)5-6-12-13(7-8-16(21)22)15(20)10-14(12)19/h11-15,17-20H,1-10H2,(H,21,22)/t11-,12+,13+,14+,15-/m0/s1
inchikey: UJIDMZMIZDNWCN-JARUQAPTSA-N
monoisotopicmass: 3.18204241E2
label: 9S,11R,15S,20-tetrahydroxy-5Z-2,3,4,5-tetranor-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:1;O4

19-hydroxy-13,14-dihydro-2,3,4,5-tetranor-PGF2alpha
type: Class
formula: C16H30O6
inchi: InChI=1S/C16H30O6/c1-10(17)3-2-4-11(18)5-6-12-13(7-8-16(21)22)15(20)9-14(12)19/h10-15,17-20H,2-9H2,1H3,(H,21,22)/t10?,11-,12+,13+,14+,15-/m0/s1
inchikey: ICOVNPXUEMSKLH-JTBRSMCESA-N
monoisotopicmass: 3.18204241E2
label: 9S,11R,15S,19-tetrahydroxy-2,3,4,5-tetranor-prostanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:1;O4

13,14-dihydro 2,3,4,5-tetranor- PGF2alpha
type: Class
formula: C16H30O5
inchi: InChI=1S/C16H30O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h11-15,17-19H,2-10H2,1H3,(H,20,21)/t11-,12+,13+,14+,15-/m0/s1
inchikey: CNYMPVABNKTKPR-JARUQAPTSA-N
monoisotopicmass: 3.02209326E2
label: 9S,11R,15S-trihydroxy-5Z-2,3,4,5-tetranor-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:1;O3

2,3-dinor-17,18,19,20-tetranor-9S,11R,dihydroxy-5Zprosten-1-20-dioic acid
type: Class
formula: C14H22O6
inchi: InChI=1S/C14H22O6/c15-11-8-12(16)10(5-3-7-14(19)20)9(11)4-1-2-6-13(17)18/h1-2,9-12,15-16H,3-8H2,(H,17,18)(H,19,20)/b2-1-/t9-,10-,11+,12-/m1/s1
inchikey: JDTCOTLUXWXTBT-BLNJHPLOSA-N
monoisotopicmass: 2.8614164E2
label: alpha-dinor-omega-tetranor-15-deoxy-13,14-dihydro-PGF2alpha
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 14:3;O4

20-hydroxy-15-oxo-13,14-dihydro-2,3-dinor-PGF2alpha
type: Class
formula: C18H30O6
inchi: InChI=1S/C18H30O6/c19-11-5-1-2-6-13(20)9-10-15-14(16(21)12-17(15)22)7-3-4-8-18(23)24/h3-4,14-17,19,21-22H,1-2,5-12H2,(H,23,24)/b4-3-/t14-,15-,16+,17-/m1/s1
inchikey: MBJNKTSSQMIPIF-TUXBEBCXSA-N
monoisotopicmass: 3.42204241E2
label: 9S,11R,15S,20-tetrahydroxy-5Z-2,3-dinorprostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:3;O4

19-hydroxy-2,3,4,5-tetranor-PGF2alpha
type: Class
formula: C16H28O6
inchi: InChI=1S/C16H28O6/c1-10(17)3-2-4-11(18)5-6-12-13(7-8-16(21)22)15(20)9-14(12)19/h5-6,10-15,17-20H,2-4,7-9H2,1H3,(H,21,22)/b6-5+/t10?,11-,12+,13+,14+,15-/m0/s1
inchikey: FYUOFPLSQGPFHB-WWQGNCAGSA-N
monoisotopicmass: 3.16188591E2
label: 9S,11R,15S,19-tetrahydroxy-13E-2,3,4,5-tetranor-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:2;O4

20-hydroxy-2,3,4,5-tetranor-PGF2alpha
type: Class
formula: C16H28O6
inchi: InChI=1S/C16H28O6/c17-9-3-1-2-4-11(18)5-6-12-13(7-8-16(21)22)15(20)10-14(12)19/h5-6,11-15,17-20H,1-4,7-10H2,(H,21,22)/b6-5+/t11-,12+,13+,14+,15-/m0/s1
inchikey: FKDFLWTZENXKCL-LTAGADKJSA-N
monoisotopicmass: 3.16188591E2
label: 9S,11R,15S,20-tetrahydroxy-13E-2,3,4,5-tetranor-prostenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:2;O4

20-carboxy-2,3,4,5-tetranor-PGF2alpha
type: Class
formula: C16H26O7
inchi: InChI=1S/C16H26O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h5-6,10-14,17-19H,1-4,7-9H2,(H,20,21)(H,22,23)/b6-5+/t10-,11+,12+,13+,14-/m0/s1
inchikey: SJTHEHUNATXNEZ-MQYRNVJCSA-N
monoisotopicmass: 3.30167856E2
label: 9S,11R,15S-trihydroxy-13E-2,3,4,5-tetranor-prosten-1,20-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:3;O5

20-carboxy-2,3,18,19-tetranor-13,14-dihydro-PGD2
type: Class
formula: C16H24O7
inchi: InChI=1S/C16H24O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,10-13,17-18H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t10-,11-,12-,13+/m1/s1
inchikey: LVJBDJWYEOEVER-BMPBWQMISA-N
monoisotopicmass: 3.28152205E2
label: 9S,15S-dihydroxy-11-oxo-2,3,18,19-tetranor-5Z-prosten-1,20-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10117
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:4;O5

6-oxo-9S,11R,15S-trihydroxy-2,3-dinor-13E,17Z-prostadienoic acid
type: Class
formula: C18H28O6
inchi: InChI=1S/C18H28O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h3-4,6,8,12,14-17,19,21-22H,2,5,7,9-11H2,1H3,(H,23,24)/b4-3-,8-6+/t12-,14+,15+,16+,17-/m0/s1
inchikey: CUUJOWFVENYEFV-VXRPEJMWSA-N
monoisotopicmass: 3.40188591E2
label: Delta17-2,3-dinor, 6-keto-PGF1alpha
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:4;O4

15-oxo-13,14-dihydro-2,3,4,5,18,19-hexanor-PGF2alpha
type: Class
formula: C14H22O7
inchi: InChI=1S/C14H22O7/c15-8(2-5-13(18)19)1-3-9-10(4-6-14(20)21)12(17)7-11(9)16/h9-12,16-17H,1-7H2,(H,18,19)(H,20,21)/t9-,10-,11-,12+/m1/s1
inchikey: RVANGKFDEYPDAH-KKOKHZNYSA-N
monoisotopicmass: 3.02136555E2
label: 9S,11R,15S,19R-tetrahydroxy-2,3,4,5,18,19-hexanor-prosta-1,20-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 14:3;O5

20-hydroxy-15-oxo-13,14-dihydro-2,3,4,5-tetranor-PGF2alpha
type: Class
formula: C16H28O6
inchi: InChI=1S/C16H28O6/c17-9-3-1-2-4-11(18)5-6-12-13(7-8-16(21)22)15(20)10-14(12)19/h12-15,17,19-20H,1-10H2,(H,21,22)/t12-,13-,14-,15+/m1/s1
inchikey: NZTRLIDXRKNHHR-TUVASFSCSA-N
monoisotopicmass: 3.16188591E2
label: 9S,11R,20-trihydroxy-2,3,4,5-tetranor-prosta-1,20-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:2;O4

19-hydroxy-15-oxo-13,14-dihydro-2,3,4,5-tetranor-PGF2alpha
type: Class
formula: C16H28O6
inchi: InChI=1S/C16H28O6/c1-10(17)3-2-4-11(18)5-6-12-13(7-8-16(21)22)15(20)9-14(12)19/h10,12-15,17,19-20H,2-9H2,1H3,(H,21,22)/t10?,12-,13-,14-,15+/m1/s1
inchikey: XBRXFBSFFQVCQC-OLOOJZQVSA-N
monoisotopicmass: 3.16188591E2
label: 9S,11R,19-trihydroxy-2,3,4,5-tetranor-prosta-1,20-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:2;O4

15-oxo-13,14-dihydro-2,3,4,5-tetranor-PGF2alpha
type: Class
formula: C16H28O5
inchi: InChI=1S/C16H28O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h12-15,18-19H,2-10H2,1H3,(H,20,21)/t12-,13-,14-,15+/m1/s1
inchikey: UIZLUZTVNFGFMX-TUVASFSCSA-N
monoisotopicmass: 3.00193676E2
label: 9S,11R,dihydroxy-2,3,4,5-tetranor-prosta-1,20-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:2;O3

13,14-dihydro-2,3-dinor PGF1alpha
type: Class
formula: C18H34O5
inchi: InChI=1S/C18H34O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/t13-,14+,15+,16-,17+/m0/s1
inchikey: BUOWZLBWIULGFV-JZAWBGDQSA-N
monoisotopicmass: 3.30240626E2
label: 9S,11R,15S-trihydroxy-13E-2,3-dinor-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:1;O3

19-hydroxy-8-iso-PGF1alpha
type: Class
formula: C20H36O6
inchi: InChI=1S/C20H36O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h11-12,14-19,21-24H,2-10,13H2,1H3,(H,25,26)/b12-11+/t14?,15-,16-,17+,18-,19+/m0/s1
inchikey: JRNZEGAFLBTZDT-UQPUDFRRSA-N
monoisotopicmass: 3.72251191E2
label: 8beta-9S,11R,15S,19-tetrahydroxy-13E-prostaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:2;O4

6,15-dioxo-13,14-dihydro-2,3-dinor-PGF1alpha
type: Class
formula: C18H30O6
inchi: InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h14-17,21-22H,2-11H2,1H3,(H,23,24)/t14-,15-,16-,17+/m1/s1
inchikey: FZTXIQMBHHBLDO-VQHPVUNQSA-N
monoisotopicmass: 3.42204241E2
label: 6,15-dioxo-9S,11R-dihydroxy-2,3-dinor-prostanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:3;O4

6,15-dioxo-9S,11R-dihydroxy-13E-prostenoic acid
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,16-19,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t16-,17-,18-,19+/m1/s1
inchikey: VKPWUQVGTPVEMU-QVPQFPIISA-N
monoisotopicmass: 3.68219891E2
label: 6,15-dioxo-PGF1alpha
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_72595
abbrev: FA 20:4;O4

20-carboxy-6,15-dioxo-13,14-dihydro-2,3-dinor-PGF1alpha
type: Class
formula: C18H28O8
inchi: InChI=1S/C18H28O8/c19-11(3-1-2-4-17(23)24)5-7-13-14(16(22)10-15(13)21)9-12(20)6-8-18(25)26/h13-16,21-22H,1-10H2,(H,23,24)(H,25,26)/t13-,14-,15-,16+/m1/s1
inchikey: ILKLTCKBZULYJM-FPCVCCKLSA-N
monoisotopicmass: 3.72178421E2
label: 6,15-dioxo-9S,11R-dihydroxy-2,3-dinor-prostan-1,20-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:4;O6

5,6-dihydroxy-PGB1
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-4-6-15(21)11-9-14-10-12-17(22)16(14)13-19(24)18(23)7-5-8-20(25)26/h9,11,15,18-19,21,23-24H,2-8,10,12-13H2,1H3,(H,25,26)/b11-9+/t15-,18?,19?/m0/s1
inchikey: XSQHONVVBTUHJM-DNYCPFNASA-N
monoisotopicmass: 3.68219891E2
label: 9-oxo-5,6,15S-trihydroxy-8(12),13E-prostadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 20:4;O4

5,6,9S,11R,15S-pentahydroxy-13E-prostaenoic acid
type: Class
formula: C20H36O7
inchi: InChI=1S/C20H36O7/c1-2-3-4-6-13(21)9-10-14-15(18(24)12-17(14)23)11-19(25)16(22)7-5-8-20(26)27/h9-10,13-19,21-25H,2-8,11-12H2,1H3,(H,26,27)/b10-9+/t13-,14+,15+,16?,17+,18-,19?/m0/s1
inchikey: SAAOVBGAFHJPIF-NYNACFBQSA-N
monoisotopicmass: 3.88246106E2
label: 5,6-Dihydroxy-PGF1alpha
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
equivalent class: CHEBI_139312
abbrev: FA 20:2;O5

15-oxo-9S,11R-dihydroxy-2,3,18,19-tetranor-5Z-prosten-1,20-dioic acid
type: Class
formula: C16H24O7
inchi: InChI=1S/C16H24O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,11-14,18-19H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t11-,12-,13+,14-/m1/s1
inchikey: XSGSZQDCVYMZGQ-HNACSLNOSA-N
monoisotopicmass: 3.28152205E2
label: 20-carboxy-15-oxo-13,14-dihydro-2,3,18,19-tetranor-PGF2alpha
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 16:4;O5

15-oxo-9S,11R-dihydroxy-2,3-dinor-5Z-prosten-1,20-dioic acid
type: Class
formula: C18H28O7
inchi: InChI=1S/C18H28O7/c19-12(5-1-3-7-17(22)23)9-10-14-13(15(20)11-16(14)21)6-2-4-8-18(24)25/h2,4,13-16,20-21H,1,3,5-11H2,(H,22,23)(H,24,25)/b4-2-/t13-,14-,15+,16-/m1/s1
inchikey: RYTZNWUWWIRPFT-ACDQYUNOSA-N
monoisotopicmass: 3.56183506E2
label: 20-carboxy-15-oxo-13,14-dihydro-2,3-dinor-PGF2alpha
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 18:4;O5

9S,11R,15S-trihydroxy-13E-2,3,4,5,6-petanor-prostaenoic acid
type: Class
formula: C15H26O5
inchi: InChI=1S/C15H26O5/c1-2-3-4-5-10(16)6-7-11-12(8-15(19)20)14(18)9-13(11)17/h6-7,10-14,16-18H,2-5,8-9H2,1H3,(H,19,20)/b7-6+/t10-,11+,12+,13+,14-/m0/s1
inchikey: UCRYUXJCACOTHB-FNLFQXNBSA-N
monoisotopicmass: 2.86178025E2
label: pentanor-PGF1alpha
subclass of: https://www.lipidmaps.org/rdf/category/10301
abbrev: FA 15:2;O3

5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
inchikey: VNYSSYRCGWBHLG-AMOLWHMGSA-N
monoisotopicmass: 3.36230061E2
label: LTB4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_15647
equivalent class: SLM_000000915
abbrev: FA 20:4;O2

5S-hydroxy-6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C23H37NO5S
inchi: InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
inchikey: OTZRAYGBFWZKMX-FRFVZSDQSA-N
monoisotopicmass: 4.39239245E2
label: LTE4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_15650
equivalent class: SLM_000501337

5S-hydroxy-6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C30H47N3O9S
inchi: InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
inchikey: GWNVDXQDILPJIG-NXOLIXFESA-N
monoisotopicmass: 6.25303303E2
label: LTC4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_16978
equivalent class: SLM_000000887

12-keto-10,11,14,15-tetrahydro-LTB4
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,11,15,19,22H,2-6,9-10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,15-11-/t19-/m1/s1
inchikey: RRTYEHFGQWNQKK-KIQAWMAPSA-N
monoisotopicmass: 3.38245711E2
label: 5S-hydroxy-12-keto-6Z,8E-eicosadienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_165291
abbrev: FA 20:3;O2

5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoic acid
type: Class
formula: C25H40N2O6S
inchi: InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
inchikey: YEESKJGWJFYOOK-IJHYULJSSA-N
monoisotopicmass: 4.96260709E2
label: LTD4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_28666
equivalent class: SLM_000500466

5S-hydroxy-6R-(S-(N-acetylcysteinyl))-7E,9E,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C25H39NO6S
inchi: InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21-,22-,23+/m0/s1
inchikey: BGGYAYMMFYBWEX-HXDOPMNESA-N
monoisotopicmass: 4.8124981E2
label: N-acetyl-LTE4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302

5S-hydroxy-6R-(S-glutamylcysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C28H44N2O8S
inchi: InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22-,23-,24+/m0/s1
inchikey: PYSODLWHFWCFLV-VJBFNVCUSA-N
monoisotopicmass: 5.68281839E2
label: LTF4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_27491

5S,12S-dihydroxy-6Z,8E,14Z,17Z-eicosapentanenoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/b4-3-,8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
inchikey: BISQPGCQOHLHQK-HDNPQISLSA-N
monoisotopicmass: 3.34214411E2
label: LTB5
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_88493
abbrev: FA 20:5;O2

LTB4 dimethyl amide
type: Class
formula: C22H37NO3
inchi: InChI=1S/C22H37NO3/c1-4-5-6-7-8-11-15-20(24)16-12-9-10-13-17-21(25)18-14-19-22(26)23(2)3/h8-13,16-17,20-21,24-25H,4-7,14-15,18-19H2,1-3H3/b10-9+,11-8-,16-12+,17-13-/t20-,21-/m1/s1
inchikey: BBJRTSLPWQUASB-UKODYPNASA-N
monoisotopicmass: 3.63277344E2
label: N,N-dimethyl-5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraen-1-amide
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_165292

LTB4 ethanol amide
type: Class
formula: C22H37NO4
inchi: InChI=1S/C22H37NO4/c1-2-3-4-5-6-9-13-20(25)14-10-7-8-11-15-21(26)16-12-17-22(27)23-18-19-24/h6-11,14-15,20-21,24-26H,2-5,12-13,16-19H2,1H3,(H,23,27)/b8-7+,9-6-,14-10+,15-11-/t20-,21-/m1/s1
inchikey: DQLVVNIINUTUIU-XLFGVTECSA-N
monoisotopicmass: 3.79272259E2
label: N-(2-hydroxyethyl)-5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraen-1-amide
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
subclass of: https://www.lipidmaps.org/rdf/category/10804
equivalent class: CHEBI_165293
abbrev: NAE 20:4;O2

5S,12R-dihydroxy-6E,8E,10E,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-,19-/m1/s1
inchikey: VNYSSYRCGWBHLG-UKNWISKWSA-N
monoisotopicmass: 3.36230061E2
label: 6-trans-LTB4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_63981
abbrev: FA 20:4;O2

5S,12S-dihydroxy-6E,8E,10E,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-,19+/m0/s1
inchikey: VNYSSYRCGWBHLG-CTOJTRLNSA-N
monoisotopicmass: 3.36230061E2
label: 6-trans-12-epi-LTB4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_63982
abbrev: FA 20:4;O2

12-epi-LTB4
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19+/m0/s1
inchikey: VNYSSYRCGWBHLG-CBBLYLIKSA-N
monoisotopicmass: 3.36230061E2
label: 5S,12S-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_72795
abbrev: FA 20:4;O2

20-carboxy-LTB4
type: Class
formula: C20H30O6
inchi: InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
inchikey: SXWGPVJGNOLNHT-VFLUTPEKSA-N
monoisotopicmass: 3.66204241E2
label: 5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraene-1,20-dioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_27562
equivalent class: SLM_000501203
abbrev: FA 20:5;O4

14,15-dehydro-LTB4
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,10-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,14-10+,15-11-/t18-,19-/m1/s1
inchikey: PRCVOEPTHWOJMX-CHHAPGPYSA-N
monoisotopicmass: 3.34214411E2
label: 5S,12R-dihydroxy-6Z,8E,10E-eicosatriene-14-ynoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_184921
abbrev: FA 20:5;O2

20-hydroxy LTB4
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
inchikey: PTJFJXLGRSTECQ-PSPARDEHSA-N
monoisotopicmass: 3.52224976E2
label: 5S,12R,20-trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_15646
equivalent class: SLM_000390029
abbrev: FA 20:4;O3

20-trifluoro-LTB4
type: Class
formula: C20H29O4F3
inchi: InChI=1S/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
inchikey: YKIRCSCMMMEEDI-QAASZIRWSA-N
monoisotopicmass: 3.90201796E2
label: 5S,12R-dihydroxy-20,20,20-trifluoro-6Z,8E,10E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10109
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_186375

11-trans-LTC4
type: Class
formula: C30H47N3O9S
inchi: InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9+,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
inchikey: GWNVDXQDILPJIG-CCHJCNDSSA-N
monoisotopicmass: 6.25303303E2
label: 5S-hydroxy-6R-(S-glutathionyl)-7E,9E,11E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_88515

11-trans-LTD4
type: Class
formula: C25H40N2O6S
inchi: InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9+,12-11+,16-13+/t20-,21-,22+/m0/s1
inchikey: YEESKJGWJFYOOK-KJGJJCHRSA-N
monoisotopicmass: 4.96260709E2
label: 5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_140493

11-trans-LTE4
type: Class
formula: C23H37NO5S
inchi: InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9+,12-11+,16-13+/t19-,20-,21+/m0/s1
inchikey: OTZRAYGBFWZKMX-DVFCZEDWSA-N
monoisotopicmass: 4.39239245E2
label: 5S-hydroxy-6R-(S-cysteinyl)-7E,9E,11E14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_72779

5S,6S-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1
inchikey: UFPQIRYSPUYQHK-WAQVJNLQSA-N
monoisotopicmass: 3.18219496E2
label: LTA4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_15651
equivalent class: SLM_000000970
abbrev: FA 20:5;O

12-oxo-LTB4
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1
inchikey: SJVWVCVZWMJXOK-NOJHDUNKSA-N
monoisotopicmass: 3.34214411E2
label: 5S-hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_27814
abbrev: FA 20:5;O2

20-hydroxy-LTE4
type: Class
formula: C23H37NO6S
inchi: InChI=1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1
inchikey: BJRMBXPQAMDCMG-CMJQBAFXSA-N
monoisotopicmass: 4.5523416E2
label: 5S,20-dihydroxy-6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_28700

5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid-d4
type: Class
formula: C20H28D4O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1/i6D,9D,11D,15D
inchikey: VNYSSYRCGWBHLG-PHKHWAPOSA-N
monoisotopicmass: 3.40255167E2
label: LTB4-d4
subclass of: https://www.lipidmaps.org/rdf/category/10302

14,15-LTC4
type: Class
formula: C30H47N3O9S
inchi: InChI=1S/C30H47N3O9S/c1-2-3-12-15-24(34)25(16-13-10-8-6-4-5-7-9-11-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h4,6-10,13,16,22-25,34H,2-3,5,11-12,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b6-4-,9-7-,10-8+,16-13+/t22-,23-,24-,25+/m0/s1
inchikey: OBQVBASHEWLKCQ-PKBWNXTMSA-N
monoisotopicmass: 6.25303303E2
label: 15S-hydroxy-14R-(S-glutathionyl)-5Z,8Z,10E,12E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_63984

14,15-LTD4
type: Class
formula: C25H40N2O6S
inchi: InChI=1S/C25H40N2O6S/c1-2-3-12-15-21(28)22(34-19-20(26)25(33)27-18-24(31)32)16-13-10-8-6-4-5-7-9-11-14-17-23(29)30/h4,6-10,13,16,20-22,28H,2-3,5,11-12,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b6-4-,9-7-,10-8+,16-13+/t20-,21-,22+/m0/s1
inchikey: BUTLPEVGZIRJOA-SPCGXPCUSA-N
monoisotopicmass: 4.96260709E2
label: 15S-hydroxy,14R-(S-cysteinylglycinyl)-5Z,8Z,10E,12E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_63985

14,15-LTE4
type: Class
formula: C23H37NO5S
inchi: InChI=1S/C23H37NO5S/c1-2-3-12-15-20(25)21(30-18-19(24)23(28)29)16-13-10-8-6-4-5-7-9-11-14-17-22(26)27/h4,6-10,13,16,19-21,25H,2-3,5,11-12,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b6-4-,9-7-,10-8+,16-13+/t19-,20-,21+/m0/s1
inchikey: JLJNENVYAVKECZ-HRXVJLLUSA-N
monoisotopicmass: 4.39239245E2
label: 15S-hydroxy-14R-(S-cysteinyl)-5Z,8Z,10E,12E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_63986

4,5-LTA4
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(23-18)16-17-20(21)22/h6-7,9-14,18-19H,2-5,8,15-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,14-13+/t18-,19-/m1/s1
inchikey: ANXVUHHMAOYZPG-BOCYDZBOSA-N
monoisotopicmass: 3.18219496E2
label: 4R,5R-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_28367
abbrev: FA 20:5;O

14,15-LTA4
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-10,13,16,18-19H,2-3,5,11-12,14-15,17H2,1H3,(H,21,22)/b6-4-,9-7-,10-8+,16-13+/t18-,19-/m0/s1
inchikey: URDQSJSEGRMOIT-FDMWOPBLSA-N
monoisotopicmass: 3.18219496E2
label: 14S,15S-epoxy-5Z,8Z,10E,12E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_63983
abbrev: FA 20:5;O

5-epi-LTA4
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19+/m0/s1
inchikey: UFPQIRYSPUYQHK-XWYPZHSRSA-N
monoisotopicmass: 3.18219496E2
label: 5R,6S-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10302
abbrev: FA 20:5;O

5S,6R-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19+/m1/s1
inchikey: UFPQIRYSPUYQHK-NSEFZGNTSA-N
monoisotopicmass: 3.18219496E2
label: 6-epi-LTA4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10302
abbrev: FA 20:5;O

(5R,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,19,22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t19-/m0/s1
inchikey: AHHXLFNPCWCNQF-SOOJVSLFSA-N
monoisotopicmass: 3.36230061E2
label: 10,11-dihydro-12-oxo-LTB4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_175292
abbrev: FA 20:4;O2

(5S,6R,7E,9E,12S,14Z)-6-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5,12-dihydroxyicosa-7,9,14-trienoic acid
type: Class
formula: C23H39NO6S
inchi: InChI=1S/C23H39NO6S/c1-2-3-4-5-6-8-12-18(25)13-9-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h6-10,15,18-21,25-26H,2-5,11-14,16-17,24H2,1H3,(H,27,28)(H,29,30)/b8-6-,9-7+,15-10+/t18-,19+,20-,21+/m0/s1
inchikey: FZJOTYMARNGISF-YXSOTRFDSA-N
monoisotopicmass: 4.5724981E2
label: 10,11-Dihydro-12R-hydroxy-leukotriene E4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302

(5R,6Z,8E,12R,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,14-trienoic acid
type: Class
formula: C20H34O6
inchi: InChI=1S/C20H34O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,17-19,21-24H,1,3,7,9-12,14-16H2,(H,25,26)/b5-4+,6-2-,13-8-/t17-,18-/m0/s1
inchikey: BZDHSIPNZCHPKA-NSBXBVANSA-N
monoisotopicmass: 3.70235541E2
label: 10,11-dihydro-20-dihydroxy-LTB4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
abbrev: FA 20:3;O4

(5R,6Z,8E,12R,14Z)-5,12,20,20,20-pentahydroxyicosa-6,8,14-trienoic acid
type: Class
formula: C20H34O7
inchi: InChI=1S/C20H34O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6,8,13,17-18,21-22,25-27H,1,5,7,9-12,14-16H2,(H,23,24)/b4-3+,6-2-,13-8-/t17-,18-/m0/s1
inchikey: LSVHZFZMMXHHBS-MNBASXMYSA-N
monoisotopicmass: 3.86230456E2
label: 10,11-dihydro-20-trihydroxy-leukotriene B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
abbrev: FA 20:3;O5

(5R,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t18-,19-/m0/s1
inchikey: NKUPFHTVILUPKF-RNEQFKNCSA-N
monoisotopicmass: 3.38245711E2
label: 10,11-dihydro-leukotriene B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
abbrev: FA 20:3;O2

(5R,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienedioic acid
type: Class
formula: C20H30O6
inchi: InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,18,22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t18-/m0/s1
inchikey: RYMSXFPLTLWXCK-VJNSNPJLSA-N
monoisotopicmass: 3.66204241E2
label: 12-oxo-10,11-dihydro-20-COOH-LTB4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_175705
abbrev: FA 20:5;O4

(5R,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenedioic acid
type: Class
formula: C20H28O6
inchi: InChI=1S/C20H28O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,18,22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t18-/m0/s1
inchikey: VLMCDTMNMDDMLC-NZXMSVEXSA-N
monoisotopicmass: 3.64188591E2
label: 12-Oxo-20-carboxy-leukotriene B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_172594
abbrev: FA 20:6;O4

(5R,6Z,8E,10E,14Z)-5,20,20-trihydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
type: Class
formula: C20H30O6
inchi: InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,18-19,22-24H,1,3,9-11,14-16H2,(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t18-/m0/s1
inchikey: SBSLZLBZGOASJL-NZXMSVEXSA-N
monoisotopicmass: 3.66204241E2
label: 12-oxo-20-dihydroxy-leukotriene B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_175707
abbrev: FA 20:5;O4

(5R,6Z,8E,10E,14Z)-5,20-dihydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,19,21,23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t19-/m0/s1
inchikey: CZWPUWRHQBAXJS-PABROBRYSA-N
monoisotopicmass: 3.50209326E2
label: 12-Oxo-20-hydroxy-leukotriene B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10302
abbrev: FA 20:5;O3

(5R,6Z,8E,10E,14Z)-5,20,20,20-tetrahydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
type: Class
formula: C20H30O7
inchi: InChI=1S/C20H30O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6-8,12-13,18,22,25-27H,1,5,9-11,14-16H2,(H,23,24)/b4-3+,6-2-,12-7+,13-8-/t18-/m0/s1
inchikey: QVZXILIWUPKGPA-CWJNPFRJSA-N
monoisotopicmass: 3.82199156E2
label: 12-Oxo-20-trihydroxy-leukotriene B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_172614
abbrev: FA 20:5;O5

(3Z,5E,7E,9R,10S)-9-(((R)-2-amino-2-carboxyethyl)thio)-10-hydroxytetradeca-3,5,7-trienedioic acid
type: Class
formula: C17H25NO7S
inchi: InChI=1S/C17H25NO7S/c18-12(17(24)25)11-26-14(13(19)7-6-10-16(22)23)8-4-2-1-3-5-9-15(20)21/h1-5,8,12-14,19H,6-7,9-11,18H2,(H,20,21)(H,22,23)(H,24,25)/b2-1+,5-3-,8-4+/t12-,13-,14+/m0/s1
inchikey: AKPPXGOSRLMJLI-PYYRFDPSSA-N
monoisotopicmass: 3.87135175E2
label: 14-carboxy-15,16,17,18,19,20-hexanor-leukotriene E3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_74019

(5R,6E,8Z,10E,12E,14R,15R,17Z)-5,14,15-trihydroxyicosa-6,8,10,12,17-pentaenoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h3-10,12,15,17-19,21-23H,2,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,8-3-,12-9+,15-10+/t17-,18+,19+/m0/s1
inchikey: VLLDKSJDBRLUOY-XIFXWWOOSA-N
monoisotopicmass: 3.50209326E2
label: 15-Epi-lipoxin B5
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_175479
abbrev: FA 20:5;O3

(5Z,7E,9E,11R,12S)-11-(L-cystein-S-yl)-12-hydroxyhexadeca-5,7,9-trienedioic acid;(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-5,7,9-trienedioic acid
type: Class
formula: C19H29NO7S
inchi: InChI=1S/C19H29NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-4,6,10,14-16,21H,5,7-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,10-6+/t14-,15-,16+/m0/s1
inchikey: LDJCPGIDJQSRGG-XFJBKEMKSA-N
monoisotopicmass: 4.15166475E2
label: 16-carboxy-17,18,19,20-tetranor-leukotriene E3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_74014

(5Z,7E,9E,11R,12S)-11-(L-cystein-S-yl)-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid;(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid
type: Class
formula: C19H27NO7S
inchi: InChI=1S/C19H27NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-7,10,14-16,21H,8-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,7-5?,10-6+/t14-,15-,16+/m0/s1
inchikey: MAFGRSDWXFSHMK-GHPSTRGMSA-N
monoisotopicmass: 4.13150825E2
label: 16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_74016

18-carboxy-19,20-dinor-leukotriene E4
type: Class
formula: C21H31NO7S
inchi: InChI=1S/C21H31NO7S/c22-16(21(28)29)15-30-18(17(23)11-10-14-20(26)27)12-8-6-4-2-1-3-5-7-9-13-19(24)25/h1-2,4-8,12,16-18,23H,3,9-11,13-15,22H2,(H,24,25)(H,26,27)(H,28,29)/b2-1-,6-4+,7-5-,12-8+/t16-,17-,18+/m0/s1
inchikey: OXCSBZDIZXLXRX-AVYHYKEVSA-N
monoisotopicmass: 4.41182125E2
label: (4Z,7Z,9E,11E,13R,14S)-13-(L-cystein-S-yl)-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid;(4Z,7Z,9E,11E,13R,14S)-13-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_74017

(5R,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienedioic acid
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,17-18,21-22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t17-,18-/m0/s1
inchikey: BCZGHMCTSJAJRR-NSBXBVANSA-N
monoisotopicmass: 3.68219891E2
label: 20-COOH-10,11-dihydro-LTB4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_175747
abbrev: FA 20:4;O4

(6Z,9Z,11E,13E,15R,16S)-15-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-16-hydroxyicosa-6,9,11,13-tetraenedioic acid
type: Class
formula: C23H35NO7S
inchi: InChI=1S/C23H35NO7S/c24-18(23(30)31)17-32-20(19(25)13-12-16-22(28)29)14-10-8-6-4-2-1-3-5-7-9-11-15-21(26)27/h2-6,8,10,14,18-20,25H,1,7,9,11-13,15-17,24H2,(H,26,27)(H,28,29)(H,30,31)/b4-2-,5-3-,8-6+,14-10+/t18-,19+,20-/m1/s1
inchikey: HVLRBLGTGJGVCX-RHSCJZQUSA-N
monoisotopicmass: 4.69213425E2
label: 20-COOH-leukotriene E4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302

(5R,6Z,8E,10E,12S,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,10,14-tetraenoic acid
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-19,21-24H,1,3,9-11,14-16H2,(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m0/s1
inchikey: ZZSBUQYGAPWEOJ-RMQNAGPKSA-N
monoisotopicmass: 3.68219891E2
label: 20-dihydroxyleukotriene B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
abbrev: FA 20:4;O4

(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
inchikey: LVLQYGYNBVIONY-PSPARDEHSA-N
monoisotopicmass: 3.50209326E2
label: 20-oxo-leukotriene B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_63979
equivalent class: SLM_000501202
abbrev: FA 20:5;O3

(5S,6R,7E,9E,11Z,14Z)-6-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-20-oxoicosa-7,9,11,14-tetraenoic acid
type: Class
formula: C23H35NO6S
inchi: InChI=1S/C23H35NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,17,19-21,26H,1,6,8,10,12-14,16,18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1
inchikey: DXFWBOQUFGDWDP-CMJQBAFXSA-N
monoisotopicmass: 4.5321851E2
label: 20-Oxo-leukotriene E4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_134513

(5R,6Z,8E,10E,12S,14Z)-5,12,20,20,20-pentahydroxyicosa-6,8,10,14-tetraenoic acid
type: Class
formula: C20H32O7
inchi: InChI=1S/C20H32O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6-8,12-13,17-18,21-22,25-27H,1,5,9-11,14-16H2,(H,23,24)/b4-3+,6-2-,12-7+,13-8-/t17-,18-/m0/s1
inchikey: UZWWTCBNUQJEPB-WLMOLUCVSA-N
monoisotopicmass: 3.84214806E2
label: 20-Trihydroxy-leukotriene-B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
abbrev: FA 20:4;O5

4-(3-{[(1S,2S,3S)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]methyl}oxiran-2-yl)butanoic acid
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-4-6-13(21)9-10-14-15(17(23)12-16(14)22)11-19-18(26-19)7-5-8-20(24)25/h9-10,13-16,18-19,21-22H,2-8,11-12H2,1H3,(H,24,25)/b10-9+/t13-,14-,15-,16-,18?,19?/m0/s1
inchikey: CBOBGOJUDRNUHE-HHECASJMSA-N
monoisotopicmass: 3.68219891E2
label: 5(6)-Epoxy Prostaglandin E1
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_175746
abbrev: FA 20:4;O4

(6E,8E,10E,12R,14Z)-12-hydroxy-5-oxoicosa-6,8,10,14-tetraenoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-/m1/s1
inchikey: MLZJFLKEKVDNAZ-BEWISGCMSA-N
monoisotopicmass: 3.34214411E2
label: 5-Oxo-6-trans-leukotriene B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_192149
abbrev: FA 20:5;O2

(5R,8E,10E,12R,14Z)-5,12-dihydroxyicosa-8,10,14-trienoic acid
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18-19,21-22H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-,19+/m1/s1
inchikey: ZMZNVSWCIRFLBV-GRXSAWGRSA-N
monoisotopicmass: 3.38245711E2
label: 6,7-dihydro-12-epi-LTB4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_187440
abbrev: FA 20:3;O2

(8E,10E,12R,14Z)-12-hydroxy-5-oxoicosa-8,10,14-trienoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18,21H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-/m1/s1
inchikey: RUTQOBJLGHUCJC-ATHKOCGESA-N
monoisotopicmass: 3.36230061E2
label: 6,7-dihydro-5-oxo-12-epi-LTB4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_175293
abbrev: FA 20:4;O2

(5S,6E,8Z,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7-,9-6-,14-10+,15-11+/t18-,19-/m1/s1
inchikey: VNYSSYRCGWBHLG-GEWAPNICSA-N
monoisotopicmass: 3.36230061E2
label: Delta(6)-trans,Delta(8)-cis-leukotriene B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_53027
abbrev: FA 20:4;O2

5R-hydroxy-6S-(S-cysteinylglycinyl)-7E,9E,11Z,14Z,17Z-eicosapentenoic acid
type: Class
formula: C25H38N2O6S
inchi: InChI=1S/C25H38N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h3-4,6-7,9-13,16,20-22,28H,2,5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b4-3-,7-6-,10-9-,12-11+,16-13+/t20-,21+,22-/m0/s1
inchikey: RWLDHKGRPLNPBN-DSJHTHEWSA-N
monoisotopicmass: 4.94245059E2
label: Leukotriene D5
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_175815

(5S,6R,7E,9E,11Z)-6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11-trienoic acid
type: Class
formula: C23H39NO5S
inchi: InChI=1S/C23H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h9-13,16,19-21,25H,2-8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
inchikey: KRTWHKZMWCZCIK-VRZYSOTLSA-N
monoisotopicmass: 4.41254895E2
label: Leukotriene E3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_74018

20-carboxyleukotriene E4
type: Class
formula: C23H35NO7S
inchi: InChI=1S/C23H35NO7S/c24-18(23(30)31)17-32-20(19(25)13-12-16-22(28)29)14-10-8-6-4-2-1-3-5-7-9-11-15-21(26)27/h2-6,8,10,14,18-20,25H,1,7,9,11-13,15-17,24H2,(H,26,27)(H,28,29)(H,30,31)/b4-2-,5-3-,8-6+,14-10+/t18-,19-,20+/m0/s1
inchikey: HVLRBLGTGJGVCX-SKJZCNKWSA-N
monoisotopicmass: 4.69213425E2
label: 6R-(S-cysteinyl)-(5S)-hydroxy-(7E,9E,11Z,14Z)-eicosatetraenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_134517

20-carboxy-N-acetyl-leukotriene E4
type: Class
formula: C25H37NO8S
inchi: InChI=1S/C25H37NO8S/c1-19(27)26-20(25(33)34)18-35-22(21(28)14-13-17-24(31)32)15-11-9-7-5-3-2-4-6-8-10-12-16-23(29)30/h3-7,9,11,15,20-22,28H,2,8,10,12-14,16-18H2,1H3,(H,26,27)(H,29,30)(H,31,32)(H,33,34)/b5-3-,6-4-,9-7+,15-11+/t20-,21-,22+/m0/s1
inchikey: CDLXVLKWNIXANF-WGJURILISA-N
monoisotopicmass: 5.1122399E2
label: 6R-(N-acetyl-S-cysteinyl)-(5S)-hydroxy-(7E,9E,11Z,14Z)-eicosatetraenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302

18-carboxy-19,20-dinor-N-acetyl-leukotriene E4
type: Class
formula: C23H33NO8S
inchi: InChI=1S/C23H33NO8S/c1-17(25)24-18(23(31)32)16-33-20(19(26)12-11-15-22(29)30)13-9-7-5-3-2-4-6-8-10-14-21(27)28/h2-3,5-9,13,18-20,26H,4,10-12,14-16H2,1H3,(H,24,25)(H,27,28)(H,29,30)(H,31,32)/b3-2-,7-5+,8-6-,13-9+/t18-,19-,20+/m0/s1
inchikey: QGAYARJCHQVTKP-IDMSBJKASA-N
monoisotopicmass: 4.8319269E2
label: (4Z,7Z,9E,11E,13R,14S)-13-(N-acetyl-L-cystein-S-yl)-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid;(4Z,7Z,9E,11E,13R,14S)-13-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302

(5Z,7E,9E,11R,12S)-11-(N-acetyl-L-cystein-S-yl)-12-hydroxyhexadeca-5,7,9-trienedioic acid;(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-5,7,9-trienedioic acid
type: Class
formula: C21H31NO8S
inchi: InChI=1S/C21H31NO8S/c1-15(23)22-16(21(29)30)14-31-18(17(24)10-9-13-20(27)28)11-7-5-3-2-4-6-8-12-19(25)26/h2-5,7,11,16-18,24H,6,8-10,12-14H2,1H3,(H,22,23)(H,25,26)(H,27,28)(H,29,30)/b4-2-,5-3+,11-7+/t16-,17-,18+/m0/s1
inchikey: HOQKVFXMQKUNKQ-LLYREEQVSA-N
monoisotopicmass: 4.5717704E2
label: 16-carboxy-17,18,19,20-tetranor-N-acetyl-leukotriene E3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302

(3Z,5E,7E,9R,10S)-9-(N-acetyl-L-cysteinyl)-10-hydroxytetradeca-3,5,7-trienedioic acid
type: Class
formula: C19H27NO8S
inchi: InChI=1S/C19H27NO8S/c1-13(21)20-14(19(27)28)12-29-16(15(22)8-7-11-18(25)26)9-5-3-2-4-6-10-17(23)24/h2-6,9,14-16,22H,7-8,10-12H2,1H3,(H,20,21)(H,23,24)(H,25,26)(H,27,28)/b3-2+,6-4-,9-5+/t14-,15-,16+/m0/s1
inchikey: DQZAODKDYPISGR-FFIQXXPOSA-N
monoisotopicmass: 4.2914574E2
label: 14-carboxy-15,16,17,18,19,20-hexanor-N-acetyl-leukotriene E3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302

16-carboxy-Delta(13)-17,18,19,20-tetranor-N-acetyl-leukotriene E4
type: Class
formula: C21H29NO8S
inchi: InChI=1S/C21H29NO8S/c1-15(23)22-16(21(29)30)14-31-18(17(24)10-9-13-20(27)28)11-7-5-3-2-4-6-8-12-19(25)26/h2-8,11,16-18,24H,9-10,12-14H2,1H3,(H,22,23)(H,25,26)(H,27,28)(H,29,30)/b4-2-,5-3+,8-6?,11-7+/t16-,17-,18+/m0/s1
inchikey: BPZZKPMTTAQRPN-GNKYHIQVSA-N
monoisotopicmass: 4.5516139E2
label: (5Z,7E,9E,11R,12S)-11-(N-acetyl-L-cystein-S-yl)-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid;(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302

5S,12R-dihydroxy-18-oxo-18-(2-sulfoethylamino)octadeca-6Z,8E,10E,14Z-tetraenoic acid
type: Class
formula: C20H31NO8S
inchi: InChI=1S/C20H31NO8S/c22-17(9-4-1-2-5-10-18(23)12-8-14-20(25)26)11-6-3-7-13-19(24)21-15-16-30(27,28)29/h1-6,9-10,17-18,22-23H,7-8,11-16H2,(H,21,24)(H,25,26)(H,27,28,29)/b2-1+,6-3-,9-4+,10-5-/t17-,18+/m0/s1
inchikey: ARKUDHPBKFIRSC-QHEGNWNOSA-N
monoisotopicmass: 4.4517704E2
label: Tauro-18-carboxy-19,20-dinorleukotriene B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302

5S,12R-dihydroxy-6Z,8E,10E-eicosatrienoic acid
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,10-11,14-15,18-19,21-22H,2-6,9,12-13,16-17H2,1H3,(H,23,24)/b8-7+,14-10+,15-11-/t18-,19-/m1/s1
inchikey: NGTXCORNXNELNU-CHHAPGPYSA-N
monoisotopicmass: 3.38245711E2
label: Leukotriene B3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302
abbrev: FA 20:3;O2

5S-hydroxy-6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic-19,19,20,20,20-d5 acid
type: Class
formula: C30H42D5N3O9S
inchi: InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1/i1D3,2D2
inchikey: GWNVDXQDILPJIG-IHTYDPOPSA-N
monoisotopicmass: 6.30334686E2
label: LTC4-d5
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302
equivalent class: CHEBI_185933

5S-hydroxy-6R-(S-cysteinylglycinyl)),7E,9E,11Z,14Z-eicosatetraenoic-19,19,20,20,20-d5 acid
type: Class
formula: C25H35D5N2O6S
inchi: InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1/i1D3,2D2
inchikey: YEESKJGWJFYOOK-HXHZKDJLSA-N
monoisotopicmass: 5.01292092E2
label: LTD4-d5
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302

5S-hydroxy-6R-(S-cysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic-19,19,20,20,20-d5 acid
type: Class
formula: C23H32D5NO5S
inchi: InChI=1S/C24H40N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22(21(27)16-15-18-23(28)29)31-19-20(25)24(30)26-2/h7-8,10-14,17,20-22,27H,3-6,9,15-16,18-19,25H2,1-2H3,(H,26,30)(H,28,29)/b8-7-,11-10-,13-12+,17-14+/t20-,21-,22+/m0/s1/i1D3,3D2
inchikey: FLKLPOLAXDSHQP-WKDHBOITSA-N
monoisotopicmass: 4.57302262E2
label: LTE4-d5
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10302

14,15-dihydroxy-8Z,10Z,12E-eicosatrienoic acid
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6,8,10,13,16,18-19,21-22H,2-3,5,7,9,11-12,14-15,17H2,1H3,(H,23,24)/b6-4-,10-8-,16-13+
inchikey: GYPIUQVLGXLZOB-ZNUKWKTHSA-N
monoisotopicmass: 3.38245711E2
subclass of: https://www.lipidmaps.org/rdf/category/10302
abbrev: FA 20:3;O2

5,8-dihydroxy-6-(S-glutathionyl)-octanoic acid
type: Class
formula: C18H31N3O10S
inchi: InChI=1S/C18H31N3O10S/c19-10(18(30)31)4-5-14(24)21-11(17(29)20-8-16(27)28)9-32-13(6-7-22)12(23)2-1-3-15(25)26/h10-13,22-23H,1-9,19H2,(H,20,29)(H,21,24)(H,25,26)(H,27,28)(H,30,31)/t10-,11-,12?,13?/m0/s1
inchikey: RQRGQBIBHRAJQU-ZSVAQUKISA-N
monoisotopicmass: 4.81173017E2
label: Pseudo-LTC
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302

5,8-dihydroxy-6-(S-cysteinylglycinyl)-octanoic acid
type: Class
formula: C13H24N2O7S
inchi: InChI=1S/C13H24N2O7S/c14-8(13(22)15-6-12(20)21)7-23-10(4-5-16)9(17)2-1-3-11(18)19/h8-10,16-17H,1-7,14H2,(H,15,22)(H,18,19)(H,20,21)/t8-,9?,10?/m0/s1
inchikey: LVXBRRSRPUAGFM-IDKOKCKLSA-N
monoisotopicmass: 3.52130424E2
label: Pseudo-LTD
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302

5,8-dihydroxy-6-(S-cysteinyl)-octanoic acid
type: Class
formula: C11H21NO6S
inchi: InChI=1S/C11H21NO6S/c12-7(11(17)18)6-19-9(4-5-13)8(14)2-1-3-10(15)16/h7-9,13-14H,1-6,12H2,(H,15,16)(H,17,18)/t7-,8?,9?/m0/s1
inchikey: NIJLCRXMFJOROX-UEJVZZJDSA-N
monoisotopicmass: 2.9510896E2
label: Pseudo-LTE
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302

5,8-dihydroxy-6-(S-(N-acetylcysteinyl))-octanoic acid
type: Class
formula: C13H23NO7S
inchi: InChI=1S/C13H23NO7S/c1-8(16)14-9(13(20)21)7-22-11(5-6-15)10(17)3-2-4-12(18)19/h9-11,15,17H,2-7H2,1H3,(H,14,16)(H,18,19)(H,20,21)/t9-,10?,11?/m0/s1
inchikey: XUTRHJGSAPNHRK-WHXUTIOJSA-N
monoisotopicmass: 3.37119525E2
label: N-Ac-Pseudo-LTE
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10302

Thromboxanoic acid skeleton
type: Class
inchi: InChI=1S/C20H36O4/c1-2-3-4-5-6-10-13-17-16(18-15-20(23-17)24-18)12-9-7-8-11-14-19(21)22/h16-18,20H,2-15H2,1H3,(H,21,22)/t16-,17-,18+,20-/m1/s1
inchikey: IHBMLJMSJCVQNY-FTEYMNFISA-N
subclass of: https://www.lipidmaps.org/rdf/category/10303

9S,11S-epoxy,15S-hydroxy-thromboxa-5Z,13E-dien-1-oic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1
inchikey: DSNBHJFQCNUKMA-SCKDECHMSA-N
monoisotopicmass: 3.52224976E2
label: TXA2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10303
equivalent class: CHEBI_15627
equivalent class: SLM_000390041
abbrev: FA 20:4;O3

9S,11,15S-trihydroxy-thromboxa-5Z,13E-dien-1-oic acid
type: Class
formula: C20H34O6
inchi: InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1
inchikey: XNRNNGPBEPRNAR-JQBLCGNGSA-N
monoisotopicmass: 3.70235541E2
label: TXB2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
equivalent class: CHEBI_28728
abbrev: FA 20:3;O4

2,3-Dinor-TXB2
type: Class
formula: C18H30O6
inchi: InChI=1S/C18H30O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h5-6,10-11,13-16,18-20,23H,2-4,7-9,12H2,1H3,(H,21,22)/b6-5-,11-10+/t13-,14-,15-,16+,18?/m0/s1
inchikey: RJHNVFKNIJQTQF-LMIBIYGPSA-N
monoisotopicmass: 3.42204241E2
label: 9S,11,15S-trihydroxy-2,3-dinor-thromboxa-5Z,13E-dien-1-oic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
equivalent class: CHEBI_89991
abbrev: FA 18:3;O4

11-dehydro-TXB2
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1
inchikey: KJYIVXDPWBUJBQ-UHHGALCXSA-N
monoisotopicmass: 3.68219891E2
label: 9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E-dien-1-oic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
equivalent class: CHEBI_28667
abbrev: FA 20:4;O4

9S,11S-epoxy,15S-hydroxy-thromboxa-5Z,13E,17Z-trien-1-oic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h3-4,6-7,12-13,15-18,20-21H,2,5,8-11,14H2,1H3,(H,22,23)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1
inchikey: NMZKLLJQNNTBRJ-OIXZZONUSA-N
monoisotopicmass: 3.50209326E2
label: TXA3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10303
equivalent class: CHEBI_165349
abbrev: FA 20:5;O3

9S,11,15S-trihydroxy-thromboxa-5Z,13E,17Z-trien-1-oic acid
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h3-4,6-7,12-13,15-18,20-22,25H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1
inchikey: OYPPJMLKAYYWHH-NXJDUNGTSA-N
monoisotopicmass: 3.68219891E2
label: TXB3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
equivalent class: CHEBI_84444
abbrev: FA 20:4;O4

9S,11,15S-trihydroxy-thrombox-13E-enoic acid
type: Class
formula: C20H36O6
inchi: InChI=1S/C20H36O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h12-13,15-18,20-22,25H,2-11,14H2,1H3,(H,23,24)/b13-12+/t15-,16-,17-,18+,20?/m0/s1
inchikey: JSDWWNLTJCCSAV-VZBVYBAISA-N
monoisotopicmass: 3.72251191E2
label: TXB1
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
abbrev: FA 20:2;O4

11-dehydro-TXB3
type: Class
formula: C20H30O6
inchi: InChI=1S/C20H30O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t15-,16-,17-,18+/m0/s1
inchikey: OAHMLWQISGEXBB-XMEKLSCHSA-N
monoisotopicmass: 3.66204241E2
label: 9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E,17Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
equivalent class: CHEBI_165347
abbrev: FA 20:5;O4

9S,11,15S-trihydroxy-thromboxa-5Z,13E-dien-1-oic acid-d4
type: Class
formula: C20H30D4O6
inchi: InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1/i5D2,8D2
inchikey: XNRNNGPBEPRNAR-LCGOHBJFSA-N
monoisotopicmass: 3.74260648E2
label: TXB2-d4
subclass of: https://www.lipidmaps.org/rdf/category/10303

11-dehydro-TXB2-d4
type: Class
formula: C20H28D4O6
inchi: InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1/i5D2,8D2
inchikey: KJYIVXDPWBUJBQ-DDHOZZTNSA-N
monoisotopicmass: 3.72244998E2
label: 9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E-dien-1-oic acid-d4
subclass of: https://www.lipidmaps.org/rdf/category/10303

2,3-Dinor-TXB1
type: Class
formula: C18H32O6
inchi: InChI=1S/C18H32O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h10-11,13-16,18-20,23H,2-9,12H2,1H3,(H,21,22)/b11-10+/t13-,14-,15-,16+,18?/m0/s1
inchikey: LGWCOUWMTAQMQT-QCBHMXSDSA-N
monoisotopicmass: 3.44219891E2
label: 9S,11,15S-trihydroxy-2,3-dinor-thrombox-13E-en-1-oic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
equivalent class: CHEBI_165348
abbrev: FA 18:2;O4

11-dehydro-2,3-dinor-TXB2
type: Class
formula: C18H28O6
inchi: InChI=1S/C18H28O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h5-6,10-11,13-16,19-20H,2-4,7-9,12H2,1H3,(H,21,22)/b6-5-,11-10+/t13-,14-,15-,16+/m0/s1
inchikey: PJAAKFHMQLYVGV-YCEKRRLLSA-N
monoisotopicmass: 3.40188591E2
label: 2,3-dinor-9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E-dien-1-oic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
equivalent class: CHEBI_165346
abbrev: FA 18:4;O4

(2R,3S)-3-heptyl-2-octyloxane
type: Class
formula: C20H40O
inchi: InChI=1S/C20H40O/c1-3-5-7-9-11-13-17-20-19(16-14-18-21-20)15-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-,20+/m0/s1
inchikey: RZWIIPASKMUIAC-VQTJNVASSA-N
monoisotopicmass: 2.96307916E2
label: Thromboxane
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
abbrev: FA 20:0;O

(5E)-7-{4,6-dihydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dien-1-yl]oxan-3-yl}hept-5-enoic acid
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h3-4,6-7,12-13,15-18,20-22,25H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3+,7-4+,13-12+
inchikey: OYPPJMLKAYYWHH-OHVJZDGFSA-N
monoisotopicmass: 3.68219891E2
label: Thromboxane B3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
abbrev: FA 20:4;O4

20-hydroxy TXB2
type: Class
formula: C20H34O7
inchi: InChI=1S/C20H34O7/c21-13-7-3-4-8-15(22)11-12-18-16(17(23)14-20(26)27-18)9-5-1-2-6-10-19(24)25/h1,5,11-12,15-18,20-23,26H,2-4,6-10,13-14H2,(H,24,25)/b5-1-,12-11+/t15-,16-,17-,18+,20?/m0/s1
inchikey: OHDKRIUTUFEMSD-WJPXWSOWSA-N
monoisotopicmass: 3.86230456E2
label: 9S,11,15S,20-tetrahydroxy-thromboxa-5Z,13E-dien-1-oic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
abbrev: FA 20:3;O5

11-Dehydro-13,14-dihydro-15-keto-thromboxane B2
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,23,24)/b7-4-/t16-,17-,18+/m0/s1
inchikey: INLXNIDWQWYGDW-OKYBNHCASA-N
monoisotopicmass: 3.68219891E2
label: 9S-hydroxy-11,15-dioxo-thromboxa-5Z-en-1-oic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
abbrev: FA 20:4;O4

15-Keto-13,14-dihydro TXB2
type: Class
formula: C20H34O6
inchi: InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,16-18,20,22,25H,2-3,5-6,8-14H2,1H3,(H,23,24)/b7-4-/t16-,17-,18+,20?/m0/s1
inchikey: APHSFGGFXCDPTM-VYKMRYAHSA-N
monoisotopicmass: 3.70235541E2
label: 9S,11-Dihydroxy-15-oxothrombox-5Z-en-1-oic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
abbrev: FA 20:3;O4

15-Keto TXB2
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,16-18,20,22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,20?/m0/s1
inchikey: RVOAIZNEVKIHQH-XNDJQNEPSA-N
monoisotopicmass: 3.68219891E2
label: 9S,11-Dihydroxy-15-oxothrombox-5Z,13E-dien-1-oic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10303
abbrev: FA 20:4;O4

5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1
inchikey: IXAQOQZEOGMIQS-SSQFXEBMSA-N
monoisotopicmass: 3.52224976E2
label: Lipoxin A4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10304
equivalent class: CHEBI 6498
equivalent class: SLM_000389595
abbrev: FA 20:4;O3

5S,14R,15S-trihydroxy-6E,8Z,10E,12E-eicosatetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19-/m1/s1
inchikey: UXVRTOKOJOMENI-WLPVFMORSA-N
monoisotopicmass: 3.52224976E2
label: Lipoxin B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10304
equivalent class: CHEBI 6499
equivalent class: SLM_000501194
abbrev: FA 20:4;O3

5S,6S,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m0/s1
inchikey: IXAQOQZEOGMIQS-UZDWIPAXSA-N
monoisotopicmass: 3.52224976E2
label: epi-Lipoxin A4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10304
equivalent class: CHEBI_63990
abbrev: FA 20:4;O3

5S,15S-dihydroxy-6R-(S-glutathionyl)-7E,9E,11Z,13E-eicosatetraenoic acid
type: Class
formula: C30H47N3O10S
inchi: InChI=1S/C30H47N3O10S/c1-2-3-8-12-21(34)13-9-6-4-5-7-10-15-25(24(35)14-11-16-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-17-22(31)30(42)43/h4-7,9-10,13,15,21-25,34-35H,2-3,8,11-12,14,16-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b6-4-,7-5+,13-9+,15-10+/t21-,22-,23-,24-,25+/m0/s1
inchikey: CYCIJLWHNZKKBC-MTFYIJSJSA-N
monoisotopicmass: 6.41298218E2
label: Lipoxin C4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10304
equivalent class: CHEBI_36220

5S,15S-dihydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11Z,13E-eicosatetraenoic acid
type: Class
formula: C25H40N2O7S
inchi: InChI=1S/C25H40N2O7S/c1-2-3-8-12-19(28)13-9-6-4-5-7-10-15-22(21(29)14-11-16-23(30)31)35-18-20(26)25(34)27-17-24(32)33/h4-7,9-10,13,15,19-22,28-29H,2-3,8,11-12,14,16-18,26H2,1H3,(H,27,34)(H,30,31)(H,32,33)/b6-4-,7-5+,13-9+,15-10+/t19-,20-,21-,22+/m0/s1
inchikey: UBZUEDFBRKNTOQ-VPZYMNCUSA-N
monoisotopicmass: 5.12255624E2
label: Lipoxin D4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10304
equivalent class: CHEBI_36221

5S,15S-dihydroxy-6R-(S-cysteinyl)-7E,9E,11Z,13E-eicosatetraenoic acid
type: Class
formula: C23H37NO6S
inchi: InChI=1S/C23H37NO6S/c1-2-3-8-12-18(25)13-9-6-4-5-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h4-7,9-10,13,15,18-21,25-26H,2-3,8,11-12,14,16-17,24H2,1H3,(H,27,28)(H,29,30)/b6-4-,7-5+,13-9+,15-10+/t18-,19-,20-,21+/m0/s1
inchikey: KVXVULITEYDTNN-HGCWDHQMSA-N
monoisotopicmass: 4.5523416E2
label: Lipoxin E4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10304
equivalent class: CHEBI_36222

5S,14R,15R-trihydroxy-6E,8Z,10E,12E-eicosatetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18-,19-/m1/s1
inchikey: UXVRTOKOJOMENI-SKYGSKSRSA-N
monoisotopicmass: 3.52224976E2
label: epi-Lipoxin B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10304
equivalent class: CHEBI_63991
abbrev: FA 20:4;O3

13,14-dihydro-15-keto-LXA4
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t18-,19+/m1/s1
inchikey: FPRPRBFSKMFXRV-JWVNNVTNSA-N
monoisotopicmass: 3.52224976E2
label: 15-oxo-5S,6R-dihydroxy-7E,9E,11Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10304
equivalent class: CHEBI_63993
equivalent class: SLM_000389597
abbrev: FA 20:4;O3

15-oxo-5S,6R-dihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,18-19,22-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t18-,19+/m1/s1
inchikey: KMQGFEBCBYXSPZ-OABWHSJTSA-N
monoisotopicmass: 3.50209326E2
label: 15-oxo-LXA4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10304
equivalent class: CHEBI_63992
equivalent class: SLM_000389596
abbrev: FA 20:5;O3

(5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19+/m1/s1
inchikey: IXAQOQZEOGMIQS-JEWNPAEBSA-N
monoisotopicmass: 3.52224976E2
label: 15-epi-lipoxin A4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10304
equivalent class: CHEBI_72789
abbrev: FA 20:4;O3

(5R,6R,7E,9E,11Z,13E)-5,6-dihydroxy-15-oxoicosa-7,9,11,13-tetraenoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,18-19,22-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t18-,19-/m1/s1
inchikey: KMQGFEBCBYXSPZ-LGJFVLQCSA-N
monoisotopicmass: 3.50209326E2
label: 15-Oxo-lipoxin A4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10304
abbrev: FA 20:5;O3

5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h3-10,13-14,17-19,21-23H,2,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,8-3-,13-9+,14-10+/t17-,18+,19-/m0/s1
inchikey: ZZMKOZNTEJVKRY-YJUORNCYSA-N
monoisotopicmass: 3.50209326E2
label: Lipoxin A5
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10304
abbrev: FA 20:5;O3

5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic-19,19,20,20,20-d5 acid
type: Class
formula: C20H27D5O5
inchi: InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1/i1D3,2D2
inchikey: IXAQOQZEOGMIQS-YUMLLTTFSA-N
monoisotopicmass: 3.57256359E2
label: Lipoxin A4-d5
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10304

5S,14R,15S-trihydroxyicosa-6E,8Z,10E,12E,17Z-pentaenoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h3-10,12,15,17-19,21-23H,2,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,8-3-,12-9+,15-10+/t17-,18+,19-/m1/s1
inchikey: VLLDKSJDBRLUOY-FFDPQGFSSA-N
monoisotopicmass: 3.50209326E2
label: Lipoxin B5
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10304
abbrev: FA 20:5;O3

12S-HHTrE
type: Class
formula: C17H28O3
inchi: InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1
inchikey: KUKJHGXXZWHSBG-WBGSEQOASA-N
monoisotopicmass: 2.80203846E2
label: 12S-hydroxy-5Z,8E,10E-heptadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_63977
abbrev: FA 17:3;O

(+/-)5,6-DiHETrE
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-
inchikey: GFNYAPAJUNPMGH-QNEBEIHSSA-N
monoisotopicmass: 3.38245711E2
label: 5,6-dihydroxy-8Z,11Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_63974
abbrev: FA 20:3;O2

5S-HETrE
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+/t19-/m1/s1
inchikey: LSADDRSUZRRBAN-FDSUASFTSA-N
monoisotopicmass: 3.22250796E2
label: 5S-hydroxy-6E,8Z,11Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_88359
abbrev: FA 20:3;O

(+/-)8,9-DiHETrE
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-
inchikey: DCJBINATHQHPKO-TYAUOURKSA-N
monoisotopicmass: 3.38245711E2
label: 8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_63970
equivalent class: SLM_000501367
abbrev: FA 20:3;O2

15S-HETrE
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,17-14+/t19-/m0/s1
inchikey: IUKXMNDGTWTNTP-OAHXIXLCSA-N
monoisotopicmass: 3.22250796E2
label: 15S-hydroxy-8Z,11Z,13E-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_88348
abbrev: FA 20:3;O

(+/-)11,12-DiHETrE
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/b8-6-,12-9-,13-10-
inchikey: LRPPQRCHCPFBPE-KROJNAHFSA-N
monoisotopicmass: 3.38245711E2
label: 11,12-dihydroxy-5Z,8Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_63969
equivalent class: SLM_000501365
abbrev: FA 20:3;O2

(+/-)14,15-DiHETrE
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-
inchikey: SYAWGTIVOGUZMM-ILYOTBPNSA-N
monoisotopicmass: 3.38245711E2
label: 14,15-dihydroxy-5Z,8Z,11Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_63966
equivalent class: SLM_000501364
abbrev: FA 20:3;O2

8S-HETrE
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-10,13,16,19,21H,2-5,8,11-12,14-15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,16-13+/t19-/m1/s1
inchikey: SKIQVURLERJJCK-RDCCVJQZSA-N
monoisotopicmass: 3.22250796E2
label: 8S-hydroxy-9E,11Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_140473
abbrev: FA 20:3;O

12R-HETrE
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13,19,21H,2-6,12,14-18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-/t19-/m0/s1
inchikey: RFAKHEWADWLSJX-ZIQRGBBDSA-N
monoisotopicmass: 3.22250796E2
label: 12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_184584
abbrev: FA 20:3;O

methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate
type: Class
formula: C21H34O8
inchi: InChI=1S/C21H34O8/c1-3-4-8-11-17(26-23)14-15-19(27-24)20-16-18(28-29-20)12-9-6-5-7-10-13-21(22)25-2/h5-6,9,12,14-15,17-20,23-24H,3-4,7-8,10-11,13,16H2,1-2H3/b6-5+,12-9+,15-14+
inchikey: PHFOFPDSQPMIQP-XUZYXDFQSA-N
monoisotopicmass: 4.14225371E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10305
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_165289
abbrev: FA 21:4;O6

methyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate
type: Class
formula: C21H34O8
inchi: InChI=1S/C21H34O8/c1-3-4-7-11-17(26-23)12-8-5-6-9-13-18-16-20(29-28-18)19(27-24)14-10-15-21(22)25-2/h5-6,8-9,12-13,17-20,23-24H,3-4,7,10-11,14-16H2,1-2H3/b6-5+,12-8+,13-9+
inchikey: AWZPWRYFAAHRSV-NABOWOGOSA-N
monoisotopicmass: 4.14225371E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10305
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_178474
abbrev: FA 21:4;O6

5,6-dihydroxy-8,11,14-eicosatrienoic acid
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6+,10-9+,13-12+
inchikey: GFNYAPAJUNPMGH-YHTMAJSVSA-N
monoisotopicmass: 3.38245711E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 20:3;O2

8,9-dihydroxy-5,11,14-eicosatrienoic acid
type: Class
formula: C20H34O4
inchi: InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6+,12-9+,13-10+
inchikey: DCJBINATHQHPKO-QPZDSRGTSA-N
monoisotopicmass: 3.38245711E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 20:3;O2

11,12,15S-trihydroxy-5Z,8Z,13E-eicosatrienoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1
inchikey: PRMWQIVYOYCJQC-YZSNCDGGSA-N
monoisotopicmass: 3.54240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_34128
abbrev: FA 20:3;O3

11,14,15-trihydroxy-5Z,8Z,12E-eicosatrienoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+
inchikey: YCFPVUKKIWMCJK-LTCHCNGXSA-N
monoisotopicmass: 3.54240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_34131
abbrev: FA 20:3;O3

(+/-)14,15-EpETrE-(d8)
type: Class
formula: C20H24D8O3
inchi: InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/i4D,6D,7D,9D,10D,13D,18D,19D
inchikey: JBSCUHKPLGKXKH-DSPKLGAASA-N
monoisotopicmass: 3.28285359E2
label: 14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acid-(d8)
subclass of: https://www.lipidmaps.org/rdf/category/10305

(+/-)8,9-EpETrE-(d8)
type: Class
formula: C20H24D8O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-/i6D,7D,9D,10D,12D,13D,18D,19D
inchikey: DBWQSCSXHFNTMO-CWIIEWQYSA-N
monoisotopicmass: 3.28285359E2
label: 8,9-epoxy-5Z,11Z,14Z-eicosatrienoic acid-(d8)
subclass of: https://www.lipidmaps.org/rdf/category/10305

(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19?/m1/s1
inchikey: WPLPEZUSILBTGP-LTNYKQEOSA-N
monoisotopicmass: 3.54240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_15630
abbrev: FA 20:3;O3

(8E,11Z,13E)-11,12,15-trihydroxyicosa-8,11,13-trienoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h7,10,15-17,21-23H,2-6,8-9,11-14H2,1H3,(H,24,25)/b10-7+,16-15+,19-18-
inchikey: PBCZCSXKHMNACJ-RWEAINGASA-N
monoisotopicmass: 3.54240626E2
label: 11,12,15-TriHETRE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 20:3;O3

(5R,6R,7E,9E,11Z,15R)-5,6,15-trihydroxyicosa-7,9,11-trienoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,17-19,21-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t17-,18-,19-/m1/s1
inchikey: WRFBDEURXXFJRY-WYMHFOEZSA-N
monoisotopicmass: 3.54240626E2
label: 13,14-Dihydro-lipoxin A4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 20:3;O3

(5R,6R,7E,9E,11Z)-5,6-dihydroxy-15-oxoicosa-7,9,11-trienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t18-,19-/m1/s1
inchikey: FPRPRBFSKMFXRV-HJGGDGFVSA-N
monoisotopicmass: 3.52224976E2
label: 13,14-Dihydro-15-oxo-lipoxin A4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 20:4;O3

(8Z,11Z,13E)-15-hydroxyicosa-8,11,13-trienoic acid
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,17-14+
inchikey: IUKXMNDGTWTNTP-RHDCIPCHSA-N
monoisotopicmass: 3.22250796E2
label: 15-HETrE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_72644
abbrev: FA 20:3;O

(6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+
inchikey: LSADDRSUZRRBAN-SRMUOKRHSA-N
monoisotopicmass: 3.22250796E2
label: 5-HETrE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_72856
abbrev: FA 20:3;O

8(S)-HETrE
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-10,13,16,19,21H,2-5,8,11-12,14-15,17-18H2,1H3,(H,22,23)
inchikey: SKIQVURLERJJCK-UHFFFAOYSA-N
monoisotopicmass: 3.22250796E2
label: 8-hydroxyeicosa-9,11,14-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 20:3;O

(9E,11Z,14Z)-8-hydroxyicosa-9,11,14-trienoic acid
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-10,13,16,19,21H,2-5,8,11-12,14-15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,16-13+
inchikey: SKIQVURLERJJCK-SFULQBOPSA-N
monoisotopicmass: 3.22250796E2
label: 8-HETrE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_72866
abbrev: FA 20:3;O

12-KHT
type: Class
formula: C17H26O3
inchi: InChI=1S/C17H26O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+
inchikey: BEHRKNVAYQNKGG-FQWDWNLFSA-N
monoisotopicmass: 2.78188195E2
label: 12-oxo-5Z,8E,10E-heptadecatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 17:4;O

11,12,15-THETA
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+
inchikey: PRMWQIVYOYCJQC-LTCHCNGXSA-N
monoisotopicmass: 3.54240626E2
label: 11,12,15-trihydroxy-5Z,8Z,13E-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_138144
abbrev: FA 20:3;O3

(+-)11,12-dihydroxy-5Z,8Z,14Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20-d11 acid
type: Class
formula: C20H23D11O4
inchi: InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/b8-6-,12-9-,13-10-/i1D3,2D2,3D2,4D2,5D2
inchikey: LRPPQRCHCPFBPE-KPONSFRYSA-N
monoisotopicmass: 3.49314755E2
label: (+/-)11,12-DiHETrE-d11
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305

(+/-)14,15-DiHETrE-d11
type: Class
formula: C20H23D11O4
inchi: InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-/i1D3,2D2,3D2,12D2,15D2
inchikey: SYAWGTIVOGUZMM-LNTVGFLJSA-N
monoisotopicmass: 3.49314755E2
label: 14,15-dihydroxy-5Z,8Z,11Z-eicosatrienoic 16,16,17,17,18,18,19,19,20,20,20-d11 acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305

(+/-)8,9-DiHETrE-d11
type: Class
formula: C20H23D11O4
inchi: InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-/i1D3,2D2,3D2,4D2,5D2
inchikey: DCJBINATHQHPKO-BCEMLEMNSA-N
monoisotopicmass: 3.49314755E2
label: (+/-)8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20-d11
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305

12S-HETrE
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h8,10-11,13-14,17,19,21H,2-7,9,12,15-16,18H2,1H3,(H,22,23)/b11-8-,13-10-,17-14+/t19-/m0/s1
inchikey: YYIXZLMPKIFFGQ-ONNNWOQGSA-N
monoisotopicmass: 3.22250796E2
label: 12S-hydroxy-8Z,10E,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
equivalent class: CHEBI_90995

12S-HETrE
type: Class
formula: C20H34O3
inchi: InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13,19,21H,2-6,12,14-18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-/t19-/m1/s1
inchikey: RFAKHEWADWLSJX-GRRZJBAJSA-N
monoisotopicmass: 3.22250796E2
label: 12S-hydroxy-5Z,8Z,12Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 20:3;O

11,12,20-trihydroxy-5Z,8Z,14Z-eicosatrienoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c21-17-13-9-5-4-7-11-15-19(23)18(22)14-10-6-2-1-3-8-12-16-20(24)25/h1,3,6-7,10-11,18-19,21-23H,2,4-5,8-9,12-17H2,(H,24,25)/b3-1-,10-6-,11-7-
inchikey: NPBISKIDYJLTBE-WDVHGCLESA-N
monoisotopicmass: 3.54240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 20:3;O3

11,12,19-trihydroxy-5Z,8Z,14Z-eicosatrienoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-17(21)13-9-7-8-11-15-19(23)18(22)14-10-5-3-2-4-6-12-16-20(24)25/h2,4-5,8,10-11,17-19,21-23H,3,6-7,9,12-16H2,1H3,(H,24,25)/b4-2-,10-5-,11-8-
inchikey: NQRSHIYQTIAKOJ-PFOCCQFLSA-N
monoisotopicmass: 3.54240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 20:3;O3

14,15,19-trihydroxy-5Z,8Z,11Z-eicosatrienoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-17(21)13-12-15-19(23)18(22)14-10-8-6-4-2-3-5-7-9-11-16-20(24)25/h2,4-5,7-8,10,17-19,21-23H,3,6,9,11-16H2,1H3,(H,24,25)/b4-2-,7-5-,10-8-
inchikey: JADVHIPZKRGFLD-HGUHJZMRSA-N
monoisotopicmass: 3.54240626E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 20:3;O3

8,9,12-THETA
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-9-12-17(21)15-16-19(23)18(22)13-10-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-6-,10-7-,16-15+
inchikey: CTERNDJLXAUIKY-RQWPTSCGSA-N
monoisotopicmass: 3.54240626E2
label: 8,9,12-trihydroxyeicosa-5Z,10E,14Z-trienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 20:3;O3

11,12-dihydroxy-19-oxo-5Z,8Z,14Z-eicosatrienonic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-17(21)13-9-7-8-11-15-19(23)18(22)14-10-5-3-2-4-6-12-16-20(24)25/h2,4-5,8,10-11,18-19,22-23H,3,6-7,9,12-16H2,1H3,(H,24,25)/b4-2-,10-5-,11-8-
inchikey: FFUYSEQPOBTWAT-PFOCCQFLSA-N
monoisotopicmass: 3.52224976E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10305
abbrev: FA 20:4;O3

15S-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
inchikey: JSFATNQSLKRBCI-VAEKSGALSA-N
monoisotopicmass: 3.20235146E2
label: 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_15558
equivalent class: SLM_000500469
abbrev: FA 20:4;O

5S-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
inchikey: KGIJOOYOSFUGPC-JGKLHWIESA-N
monoisotopicmass: 3.20235146E2
label: 5S-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_28209
equivalent class: SLM_000501230
abbrev: FA 20:4;O

11S-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+/t19-/m1/s1
inchikey: GCZRCCHPLVMMJE-YZGNWCGPSA-N
monoisotopicmass: 3.20235146E2
label: 11S-hydroxy-5Z,8Z,12E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_138332
abbrev: FA 20:4;O

5S-HETE-d8
type: Class
formula: C20H24D8O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1/i6D,7D,9D,10D,12D,13D,16D,19D
inchikey: KGIJOOYOSFUGPC-IWMWOOIASA-N
monoisotopicmass: 3.28285359E2
label: 5S-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid (5,6,8,9,11,12,14,15-d8)
subclass of: https://www.lipidmaps.org/rdf/category/10306

8S-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1
inchikey: NLUNAYAEIJYXRB-VYOQERLCSA-N
monoisotopicmass: 3.20235146E2
label: 8S-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34486
equivalent class: SLM_000000990
abbrev: FA 20:4;O

12S-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
inchikey: ZNHVWPKMFKADKW-LQWMCKPYSA-N
monoisotopicmass: 3.20235146E2
label: 12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34146
equivalent class: SLM_000501336
abbrev: FA 20:4;O

12R-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
inchikey: ZNHVWPKMFKADKW-ZYBDYUKJSA-N
monoisotopicmass: 3.20235146E2
label: 12R-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34144
equivalent class: SLM_000389804
abbrev: FA 20:4;O

20-HETE
type: Class
formula: C20H32O3
inchikey: NNDIXBJHNLFJJP-DTLRTWKJSA-N
monoisotopicmass: 3.20235146E2
label: 20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34306
equivalent class: SLM_000000849
abbrev: FA 20:4;O

5S,15S-DiHETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1
inchikey: UXGXCGPWGSUMNI-BVHTXILBSA-N
monoisotopicmass: 3.36230061E2
label: 5S,15S-dihydroxy-6E,8Z,11Z,13E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_91286
equivalent class: SLM_000501296
abbrev: FA 20:4;O2

5-Oxo-ETE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
inchikey: MEASLHGILYBXFO-XTDASVJISA-N
monoisotopicmass: 3.18219496E2
label: 5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_52449
equivalent class: SLM_000501303
abbrev: FA 20:5;O

5S-HpETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
inchikey: JNUUNUQHXIOFDA-JGKLHWIESA-N
monoisotopicmass: 3.36230061E2
label: 5S-hydroperoxy-6E,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_15632
equivalent class: SLM_000000969
abbrev: FA 20:4;O2

12S-HpETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
inchikey: ZIOZYRSDNLNNNJ-LQWMCKPYSA-N
monoisotopicmass: 3.36230061E2
label: 12S-hydroperoxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_15626
equivalent class: SLM_000000961
abbrev: FA 20:4;O2

15S-HpETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
inchikey: BFWYTORDSFIVKP-VAEKSGALSA-N
monoisotopicmass: 3.36230061E2
label: 15S-hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_15628
equivalent class: SLM_000389762
abbrev: FA 20:4;O2

5S,6R-DiHETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-13,15,18-19,21-22H,2-5,8,14,16-17H2,1H3,(H,23,24)/b7-6-,10-9-,12-11+,15-13+/t18-,19+/m1/s1
inchikey: UVZBUUTTYHTDRR-NSEFZGNTSA-N
monoisotopicmass: 3.36230061E2
label: 5S,6R-dihydroxy-7E,9E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_138295
abbrev: FA 20:4;O2

5S,6S-DiHETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-13,15,18-19,21-22H,2-5,8,14,16-17H2,1H3,(H,23,24)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1
inchikey: UVZBUUTTYHTDRR-WAQVJNLQSA-N
monoisotopicmass: 3.36230061E2
label: 5S,6S-dihydroxy-7E,9E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_53026
abbrev: FA 20:4;O2

12-oxo-5Z,8Z,10E,14Z-eicosatetraenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
inchikey: GURBRQGDZZKITB-VXBMJZGYSA-N
monoisotopicmass: 3.18219496E2
label: 12-oxo-ETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34151
equivalent class: SLM_000500468
abbrev: FA 20:5;O

8R-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1
inchikey: NLUNAYAEIJYXRB-GTYUHVKWSA-N
monoisotopicmass: 3.20235146E2
label: 8R-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34484
abbrev: FA 20:4;O

3R-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h6-7,9-10,12-13,15-16,19,21H,2-5,8,11,14,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-15-/t19-/m1/s1
inchikey: HVJLGJXEWCPPDB-VXFQMENQSA-N
monoisotopicmass: 3.20235146E2
label: 3R-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_165280
abbrev: FA 20:4;O

5R-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m0/s1
inchikey: KGIJOOYOSFUGPC-CABOLEKPSA-N
monoisotopicmass: 3.20235146E2
label: 5R-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_165284
abbrev: FA 20:4;O

9R-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9-,13-10-,17-14+/t19-/m1/s1
inchikey: KATOYYZUTNAWSA-AZFZJQGOSA-N
monoisotopicmass: 3.20235146E2
label: 9R-hydroxy-5Z,7E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_165288
abbrev: FA 20:4;O

9S-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9-,13-10-,17-14+/t19-/m0/s1
inchikey: KATOYYZUTNAWSA-VBLHFSPLSA-N
monoisotopicmass: 3.20235146E2
label: 9S-hydroxy-5Z,7E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34495
abbrev: FA 20:4;O

11R-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+/t19-/m0/s1
inchikey: GCZRCCHPLVMMJE-WXMXURGXSA-N
monoisotopicmass: 3.20235146E2
label: 11R-hydroxy-5Z,8Z,12E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34126
equivalent class: SLM_000501191
abbrev: FA 20:4;O

15R-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m1/s1
inchikey: JSFATNQSLKRBCI-UDQWCNDOSA-N
monoisotopicmass: 3.20235146E2
label: 15R-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_63989
abbrev: FA 20:4;O

8R-HpETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1
inchikey: QQUFCXFFOZDXLA-GTYUHVKWSA-N
monoisotopicmass: 3.36230061E2
label: 8R-hydroperoxy-5Z,9E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_15629
equivalent class: SLM_000000967
abbrev: FA 20:4;O2

9-HpETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19,23H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/b7-6-,11-9-,13-10-,17-14+
inchikey: LIYCOTUUWOESJK-OIZRIKEUSA-N
monoisotopicmass: 3.36230061E2
label: 9-hydroperoxy-5,7E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_78732
abbrev: FA 20:4;O2

11-HpETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b9-6-,10-7-,14-11-,16-13+
inchikey: PCGWZQXAGFGRTQ-RLZWZWKOSA-N
monoisotopicmass: 3.36230061E2
label: 11-hydroperoxy-5Z,8Z,12E,14-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_165279
abbrev: FA 20:4;O2

6-hydroperoxy-4E,8Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(24-23)17-14-15-18-20(21)22/h6-7,9-10,12-14,17,19,23H,2-5,8,11,15-16,18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,17-14+
inchikey: MKUSCZSRMBCYHE-CVJUOOOLSA-N
monoisotopicmass: 3.36230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O2

14-hydroperoxy-5Z,8Z,11Z,15E-eicosatetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-13-16-19(24-23)17-14-11-9-7-5-6-8-10-12-15-18-20(21)22/h5,7-8,10-11,13-14,16,19,23H,2-4,6,9,12,15,17-18H2,1H3,(H,21,22)/b7-5-,10-8-,14-11-,16-13+
inchikey: QONRJGQXXMFQBY-YKEHQFFYSA-N
monoisotopicmass: 3.36230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O2

5,12-diHPETE
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-4-5-6-9-13-18(25-23)14-10-7-8-11-15-19(26-24)16-12-17-20(21)22/h6-11,14-15,18-19,23-24H,2-5,12-13,16-17H2,1H3,(H,21,22)/b8-7+,9-6-,14-10+,15-11+
inchikey: FZVYTGLHRWEILG-LKCSHLNLSA-N
monoisotopicmass: 3.68219891E2
label: 5,12-dihydroperoxy-6,8,10,14-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_165281
abbrev: FA 20:4;O4

5,15-diHPETE
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-9-13-18(25-23)14-10-7-5-4-6-8-11-15-19(26-24)16-12-17-20(21)22/h5-8,10-11,14-15,18-19,23-24H,2-4,9,12-13,16-17H2,1H3,(H,21,22)/b7-5-,8-6-,14-10+,15-11+
inchikey: PCIOUQYHTPPZEM-PCTZFDORSA-N
monoisotopicmass: 3.68219891E2
label: 5,15-dihydroperoxy-6,8,11,13-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_165282
abbrev: FA 20:4;O4

8,15-diHPETE
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-8-13-18(25-23)14-9-4-5-10-15-19(26-24)16-11-6-7-12-17-20(21)22/h4-6,9-11,14-15,18-19,23-24H,2-3,7-8,12-13,16-17H2,1H3,(H,21,22)/b5-4-,11-6-,14-9+,15-10-
inchikey: CXDIKCDVBUPCCG-CJTBBFCXSA-N
monoisotopicmass: 3.68219891E2
label: 8,15-dihydroperoxy-5,9,11,13-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_165286
abbrev: FA 20:4;O4

8S,15S-DiHETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1
inchikey: NNPWRKSGORGTIM-HCCKYKKOSA-N
monoisotopicmass: 3.36230061E2
label: 8S,15S-dihydroxy-5Z,9E,11Z,13E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_136485
abbrev: FA 20:4;O2

15-Oxo-ETE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+
inchikey: YGJTUEISKATQSM-USWFWKISSA-N
monoisotopicmass: 3.18219496E2
label: 15-oxo-5Z,8Z,11Z,13E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_15559
equivalent class: SLM_000500470
abbrev: FA 20:5;O

5,12-DiHETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6+,14-10+,15-11+
inchikey: VNYSSYRCGWBHLG-XUOUMLBJSA-N
monoisotopicmass: 3.36230061E2
label: 5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_175298
abbrev: FA 20:4;O2

8,15-dihydroxy-5,9,11,13-eicosatetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4+,11-6+,14-9+,15-10+
inchikey: NNPWRKSGORGTIM-ZWVZQMQISA-N
monoisotopicmass: 3.36230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O2

6-hydroxy-4E,8Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(21)17-14-15-18-20(22)23/h6-7,9-10,12-14,17,19,21H,2-5,8,11,15-16,18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,17-14+
inchikey: RDQJANOYLNUONG-CVJUOOOLSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

8-hydroxy-5E,9Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11+,16-13-
inchikey: NLUNAYAEIJYXRB-XXSSMXECSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

8-oxo-5E,9Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11+,16-13-
inchikey: ULAXHDZCBOQYGV-XXSSMXECSA-N
monoisotopicmass: 3.18219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: SLM_000000968
abbrev: FA 20:5;O

9-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9+,13-10-,17-14-
inchikey: KATOYYZUTNAWSA-DLJQHUEDSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_72785
abbrev: FA 20:4;O

9R-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9+,13-10-,17-14-/t19-/m1/s1
inchikey: KATOYYZUTNAWSA-JNIQGBGXSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

9-oxo-5E,7Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9+,13-10-,17-14-
inchikey: STWROVCBKOAVDG-DLJQHUEDSA-N
monoisotopicmass: 3.18219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:5;O

11R-hydroxy-5E,8Z,12Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6+,10-7-,14-11-,16-13-/t19-/m0/s1
inchikey: GCZRCCHPLVMMJE-RSPKXIRXSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

11-hydroxy-5E,8Z,12Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6+,10-7-,14-11-,16-13-
inchikey: GCZRCCHPLVMMJE-IITLTHAWSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

12-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8-,13-10-,17-14-
inchikey: ZNHVWPKMFKADKW-FYMOKONMSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8-,13-10-,17-14-/t19-/m0/s1
inchikey: ZNHVWPKMFKADKW-JKNRQTOGSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_175105
abbrev: FA 20:4;O

14-hydroxy-5E,8Z,11Z,15Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h5,7-8,10-11,13-14,16,19,21H,2-4,6,9,12,15,17-18H2,1H3,(H,22,23)/b7-5-,10-8+,14-11-,16-13-
inchikey: GGIWGPRLZWXKJY-OGIMHEHYSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

15-hydroxy-5E,8Z,11Z,13Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8+,11-9-,17-14-
inchikey: JSFATNQSLKRBCI-CHCUHQEOSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

15R-hydroxy-5E,8Z,11Z,13Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8+,11-9-,17-14-/t19-/m1/s1
inchikey: JSFATNQSLKRBCI-PIWBHNOUSA-N
monoisotopicmass: 3.20235146E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

11-oxo-5E,8Z,12Z,14Z-Eicosatetraenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6+,10-7-,14-11-,16-13-
inchikey: SFIBXKABWRNYKQ-IITLTHAWSA-N
monoisotopicmass: 3.18219496E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:5;O

16R-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-/t19-/m1/s1
inchikey: JEKNPVYFNMZRJG-STHMYGMFSA-N
monoisotopicmass: 3.20235146E2
label: 16R-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34162
abbrev: FA 20:4;O

12R-HpETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
inchikey: ZIOZYRSDNLNNNJ-ZYBDYUKJSA-N
monoisotopicmass: 3.36230061E2
label: 12R-hydroperoxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34145
equivalent class: SLM_000000959
abbrev: FA 20:4;O2

11R-HpETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b9-6-,10-7-,14-11-,16-13+/t19-/m0/s1
inchikey: PCGWZQXAGFGRTQ-WXMXURGXSA-N
monoisotopicmass: 3.36230061E2
label: 11R-hydroperoxy-5Z,8Z,12E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34127
equivalent class: SLM_000389761
abbrev: FA 20:4;O2

9S-HpETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19,23H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/b7-6-,11-9-,13-10-,17-14+/t19-/m0/s1
inchikey: LIYCOTUUWOESJK-VBLHFSPLSA-N
monoisotopicmass: 3.36230061E2
label: 9S-hydroperoxy-5Z,7E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34497
abbrev: FA 20:4;O2

8S-HpETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1
inchikey: QQUFCXFFOZDXLA-VYOQERLCSA-N
monoisotopicmass: 3.36230061E2
label: 8S-hydoperoxy-5Z,9E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34487
equivalent class: SLM_000000965
abbrev: FA 20:4;O2

19S-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12,19,21H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-/t19-/m0/s1
inchikey: XFUXZHQUWPFWPR-DZBJBCEBSA-N
monoisotopicmass: 3.20235146E2
label: 19S-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_34185
abbrev: FA 20:4;O

5,6-Ep-15S-HETE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18-19(24-18)15-11-16-20(22)23/h4-7,9-10,13-14,17-19,21H,2-3,8,11-12,15-16H2,1H3,(H,22,23)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m0/s1
inchikey: YNHSGCYEQVDEOY-UZDWIPAXSA-N
monoisotopicmass: 3.34214411E2
label: 5S,6S-epoxy-15S-hydroxy-7E,9E,11Z,13E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_64095
abbrev: FA 20:5;O2

(+/-)-8,9-dihydroxy-5Z,11Z,14Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b4-3-,7-6-,12-9-,13-10-
inchikey: NXFSSCYFERVGJQ-JJUYGIQRSA-N
monoisotopicmass: 3.36230061E2
label: 8,9-DiHETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_165287
abbrev: FA 20:4;O2

(+/-)-14,15-dihydroxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,12-3-,13-10-
inchikey: BLWCDFIELVFRJY-QXBXTPPVSA-N
monoisotopicmass: 3.36230061E2
label: 14,15-DiHETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_88459
abbrev: FA 20:4;O2

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,14-12-
inchikey: XYDVGNAQQFWZEF-JPURVOHMSA-N
monoisotopicmass: 3.36230061E2
label: 17,18-DiHETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_88349
abbrev: FA 20:4;O2

(+/-)-11,12-dihydroxy-5Z,8Z,14Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h3-4,6,8-10,12-13,18-19,21-22H,2,5,7,11,14-17H2,1H3,(H,23,24)/b4-3-,8-6-,12-9-,13-10-
inchikey: DNPZYIPMAWRQQE-BVILWSOJSA-N
monoisotopicmass: 3.36230061E2
label: 11,12-DiHETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_165278
abbrev: FA 20:4;O2

15S-HETE-d8
type: Class
formula: C20H24D8O3
inchi: InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1/i4D,5D,8D,9D,10D,11D,17D,19D
inchikey: JSFATNQSLKRBCI-JCAMWLGVSA-N
monoisotopicmass: 3.28285359E2
label: 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid-d8
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_169748

12S-HETE-d8
type: Class
formula: C20H24D8O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1/i7D,8D,9D,10D,11D,13D,17D,19D
inchikey: ZNHVWPKMFKADKW-OPXGWVKSSA-N
monoisotopicmass: 3.28285359E2
label: 12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid-d8
subclass of: https://www.lipidmaps.org/rdf/category/10306

20-HETE-d6
type: Class
formula: C20H26D6O3
inchikey: NNDIXBJHNLFJJP-KVJJYFOZSA-N
monoisotopicmass: 3.26272806E2
label: 20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid-d6
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_180941

5-Oxo-ETE-d7
type: Class
formula: C20H23D7O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/i6D,7D,9D,10D,12D,13D,16D
inchikey: MEASLHGILYBXFO-BWRCDNCFSA-N
monoisotopicmass: 3.25263433E2
label: 5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid-d7
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_184268

5-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
inchikey: KGIJOOYOSFUGPC-XTDASVJISA-N
monoisotopicmass: 3.20235146E2
label: 5-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_60943
equivalent class: SLM_000501196
abbrev: FA 20:4;O

11-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+
inchikey: GCZRCCHPLVMMJE-RLZWZWKOSA-N
monoisotopicmass: 3.20235146E2
label: 11-hydroxy-5Z,8Z,12E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_72606
abbrev: FA 20:4;O

8-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+
inchikey: NLUNAYAEIJYXRB-HEJOTXCHSA-N
monoisotopicmass: 3.20235146E2
label: 8-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_72643
equivalent class: SLM_000501198
abbrev: FA 20:4;O

15-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+
inchikey: JSFATNQSLKRBCI-USWFWKISSA-N
monoisotopicmass: 3.20235146E2
label: 15-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_64017
abbrev: FA 20:4;O

12-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
inchikey: ZNHVWPKMFKADKW-VXBMJZGYSA-N
monoisotopicmass: 3.20235146E2
label: 12-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_84447
equivalent class: SLM_000501200
abbrev: FA 20:4;O

9-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9-,13-10-,17-14+
inchikey: KATOYYZUTNAWSA-OIZRIKEUSA-N
monoisotopicmass: 3.20235146E2
label: 9-hydroxy-5Z,7E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_72786
abbrev: FA 20:4;O

14,15-dihydroxy-5,8,10,12-eicosatetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-10,13,16,18-19,21-22H,2-3,5,11-12,14-15,17H2,1H3,(H,23,24)/b6-4+,9-7+,10-8+,16-13+
inchikey: RFCYXKNVYQOCTM-CDZWCFJOSA-N
monoisotopicmass: 3.36230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O2

17-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-16-19(21)17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20(22)23/h3,5-6,8-9,11-12,14,19,21H,2,4,7,10,13,15-18H2,1H3,(H,22,23)/b5-3-,8-6-,11-9-,14-12-
inchikey: OPPIPPRXLIDJKN-JPURVOHMSA-N
monoisotopicmass: 3.20235146E2
label: 17-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_63995
equivalent class: SLM_000501493
abbrev: FA 20:4;O

18-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-
inchikey: PPCHNRUZQWLEMF-XBOCNYGYSA-N
monoisotopicmass: 3.20235146E2
label: 18-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_63579
equivalent class: SLM_000389416
abbrev: FA 20:4;O

18-hydroxy-arachidonic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-/t19-/m1/s1
inchikey: PPCHNRUZQWLEMF-LFFPGIGVSA-N
monoisotopicmass: 3.20235146E2
label: 18R-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_91132
equivalent class: SLM_000501232
abbrev: FA 20:4;O

20-hydroxy-2E,4E,6E,8E-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchikey: OFOHMBHZMFNVJA-DHIOLEBQSA-N
monoisotopicmass: 3.20235146E2
label: 20-hydroxy-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

5S,11R-DiHETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-9-13-18(21)14-10-8-11-15-19(22)16-12-17-20(23)24/h6-11,13,15,18-19,21-22H,2-5,12,14,16-17H2,1H3,(H,23,24)/b7-6-,10-8-,13-9+,15-11+/t18-,19+/m0/s1
inchikey: GVBURXXHWSCJSI-ZZHGHEOFSA-N
monoisotopicmass: 3.36230061E2
label: 5S,11R-dihydroxy-6E,8Z,12E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_91136
equivalent class: SLM_000501295
abbrev: FA 20:4;O2

5S,15R-diHETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+/t18-,19-/m1/s1
inchikey: UXGXCGPWGSUMNI-YLMOWEDUSA-N
monoisotopicmass: 3.36230061E2
label: 5S,15R-dihydroxy-6E,8Z,11Z,13E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_91138
equivalent class: SLM_000501298
abbrev: FA 20:4;O2

5S,15S-diHPETE
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-9-13-18(25-23)14-10-7-5-4-6-8-11-15-19(26-24)16-12-17-20(21)22/h5-8,10-11,14-15,18-19,23-24H,2-4,9,12-13,16-17H2,1H3,(H,21,22)/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1
inchikey: PCIOUQYHTPPZEM-BVHTXILBSA-N
monoisotopicmass: 3.68219891E2
label: 5S,15S-dihydroperoxy-6E,8Z,11Z,13E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_138291
abbrev: FA 20:4;O4

8S,15S-diHPETE
type: Class
formula: C20H32O6
inchi: InChI=1S/C20H32O6/c1-2-3-8-13-18(25-23)14-9-4-5-10-15-19(26-24)16-11-6-7-12-17-20(21)22/h4-6,9-11,14-15,18-19,23-24H,2-3,7-8,12-13,16-17H2,1H3,(H,21,22)/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1
inchikey: CXDIKCDVBUPCCG-HCCKYKKOSA-N
monoisotopicmass: 3.68219891E2
label: 8S,15S-dihydroperoxy-5Z,9E,11Z,13E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_136400
abbrev: FA 20:4;O4

5S,12S-DiHETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7-,9-6-,14-10+,15-11+/t18-,19+/m0/s1
inchikey: VNYSSYRCGWBHLG-RYYHSVJXSA-N
monoisotopicmass: 3.36230061E2
label: 5S,12S-dihydroxy-6E,8Z,10E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_165285
abbrev: FA 20:4;O2

(5Z,8Z,11Z,13E)-15-hydroperoxyeicosa-5,8,11,13-tetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+
inchikey: BFWYTORDSFIVKP-USWFWKISSA-N
monoisotopicmass: 3.36230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_91271
equivalent class: SLM_000501145
abbrev: FA 20:4;O2

(5Z,8Z,11Z,14Z)-10-hydroxyicosa-5,8,11,14-tetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-10-13-16-19(21)17-14-11-8-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b7-6-,9-8-,16-13-,17-14-
inchikey: ZUOCVLADVGGUGH-OVMCANAPSA-N
monoisotopicmass: 3.20235146E2
label: 10-HETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_134453
abbrev: FA 20:4;O

(5Z,8Z,11Z,14Z)-13-hydroxyicosa-5,8,11,14-tetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14-
inchikey: SAKQICHVWOJSNI-BWWNDVLWSA-N
monoisotopicmass: 3.20235146E2
label: 13-HETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_137345
abbrev: FA 20:4;O

(5Z,8Z,11Z,14Z)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-
inchikey: JEKNPVYFNMZRJG-UFINWASNSA-N
monoisotopicmass: 3.20235146E2
label: 16-HETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_63994
equivalent class: SLM_000501494
abbrev: FA 20:4;O

(5Z,8Z,11Z,14Z)-19-hydroxy-5,8,11,14-icosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12,19,21H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-
inchikey: XFUXZHQUWPFWPR-TWVHMNNTSA-N
monoisotopicmass: 3.20235146E2
label: 19-HETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_63998
equivalent class: SLM_000389383
abbrev: FA 20:4;O

(6E,8Z,11Z,13E)-5,15-dihydroxyicosa-6,8,11,13-tetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+
inchikey: UXGXCGPWGSUMNI-PCTZFDORSA-N
monoisotopicmass: 3.36230061E2
label: 5,15-DiHETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_72867
abbrev: FA 20:4;O2

5-HPETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+
inchikey: JNUUNUQHXIOFDA-XTDASVJISA-N
monoisotopicmass: 3.36230061E2
label: 5-hydroperoxyeicosa-6E,8Z,11Z,14Z-tetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_91268
equivalent class: SLM_000501146
abbrev: FA 20:4;O2

(5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+
inchikey: NNPWRKSGORGTIM-RCDCWWQHSA-N
monoisotopicmass: 3.36230061E2
label: 8,15-DiHETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_88456
abbrev: FA 20:4;O2

10S-Hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-10-13-16-19(21)17-14-11-8-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b7-6-,9-8-,16-13-,17-14-/t19-/m0/s1
inchikey: ZUOCVLADVGGUGH-LWZFADKSSA-N
monoisotopicmass: 3.20235146E2
label: 10S-Hydroxy-arachidonic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

(5Z,8R,11Z,14Z)-8,9-epoxy-5,9,11,14-eicosatetraenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,15,19H,2-5,8,11,14,16-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-,18-15-/t19-/m1/s1
inchikey: PVKOQJATMIOZNV-DXJGWMFSSA-N
monoisotopicmass: 3.18219496E2
label: 8(R),9-epoxy-5Z,9,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10306
equivalent class: CHEBI_136632
abbrev: FA 20:5;O

8,15-diHETE(n-3)
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h3-5,8-10,14-15,18-19,21-22H,2,6-7,11-13,16-17H2,1H3,(H,23,24)/b5-4+,8-3-,14-9+,15-10-
inchikey: IVADSWDDRQRJGO-UKCKVWFASA-N
monoisotopicmass: 3.36230061E2
label: 8,15-dihydroxy-9Z,11E,13E,17Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10114
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O2

7S,8R-diHETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-12-15-18(21)19(22)16-13-11-14-17-20(23)24/h6-7,9-10,12-13,15-16,18-19,21-22H,2-5,8,11,14,17H2,1H3,(H,23,24)/b7-6-,10-9-,15-12+,16-13-/t18-,19+/m1/s1
inchikey: JCPDEYQXMPRZEG-VRMQGLKJSA-N
monoisotopicmass: 3.36230061E2
label: 7S,8R-dihydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O2

5R,8S-diHETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-13-18(21)16-17-19(22)14-12-15-20(23)24/h6-7,9-11,13,16-19,21-22H,2-5,8,12,14-15H2,1H3,(H,23,24)/b7-6-,10-9-,13-11+,17-16-/t18-,19+/m0/s1
inchikey: KZQRVAKWSSAWBB-ZIYPRYFQSA-N
monoisotopicmass: 3.36230061E2
label: 5R,8S-dihydroxy-6Z,9E,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O2

14,15-epoxy,16-HETE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-14-17(21)20-18(24-20)15-12-10-8-6-4-5-7-9-11-13-16-19(22)23/h3-4,6-7,9-10,12,14,17-18,20-21H,2,5,8,11,13,15-16H2,1H3,(H,22,23)/b6-4-,9-7-,12-10-,14-3-
inchikey: XLNZQNDISSCYFM-USAVYAABSA-N
monoisotopicmass: 3.34214411E2
label: 14,15-epoxy-16-hydroxy-5Z,8Z,11Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:5;O2

8,9-epoxy,7-HETE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-12-15-18-20(24-18)17(21)14-11-10-13-16-19(22)23/h3-4,6-7,9,11-12,14,17-18,20-21H,2,5,8,10,13,15-16H2,1H3,(H,22,23)/b4-3-,7-6-,12-9-,14-11-
inchikey: NAQPPCOEARAIEB-BHZKQJBOSA-N
monoisotopicmass: 3.34214411E2
label: 8,9-epoxy-7-hydroxy-5Z,11Z,14Z,17Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:5;O2

14,15-epoxy,13-HETE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-11-15-18-20(24-18)17(21)14-12-9-7-5-4-6-8-10-13-16-19(22)23/h3,5-8,11-12,14,17-18,20-21H,2,4,9-10,13,15-16H2,1H3,(H,22,23)/b7-5-,8-6-,11-3-,14-12-
inchikey: BWLVNHSVAJJJFW-QXGJGMMHSA-N
monoisotopicmass: 3.34214411E2
label: 14,15-epoxy-13-hydroxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:5;O2

13R-HETE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14-/t19-/m1/s1
inchikey: SAKQICHVWOJSNI-PRVIWIHFSA-N
monoisotopicmass: 3.20235146E2
label: 13R-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

12R,13R-dihydroxy-eicosa-5Z,8Z,10E,14Z-tetraenoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-9-12-15-18(21)19(22)16-13-10-7-5-6-8-11-14-17-20(23)24/h6-8,10,12-13,15-16,18-19,21-22H,2-5,9,11,14,17H2,1H3,(H,23,24)/b8-6-,10-7-,15-12-,16-13+/t18-,19-/m1/s1
inchikey: CGXPEDOFBFGHJH-WWQFRFGJSA-N
monoisotopicmass: 3.36230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O2

9,15-diHETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-8-13-18(21)15-10-7-11-16-19(22)14-9-5-4-6-12-17-20(23)24/h4-5,7,9-11,14-15,18-19,21-22H,2-3,6,8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-7-,14-9+,15-10+/t18-,19+/m0/s1
inchikey: VBQUXWAGWFCNLJ-FRIYPYDOSA-N
monoisotopicmass: 3.36230061E2
label: 9S,15S-dihydroxy-5Z,7E,11Z,13E-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O2

11S,14R,15S-trihydroxyeicosa-5Z,8Z,12E,17Z-tetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h3-4,6-7,9-10,15-19,21-23H,2,5,8,11-14H2,1H3,(H,24,25)/b6-4-,9-3-,10-7-,16-15+/t17-,18-,19+/m0/s1
inchikey: GZQLVQZPCXQLAS-OYLNYSRPSA-N
monoisotopicmass: 3.52224976E2
label: Okeanic acid A
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O3

9(S)-HETE-d8
type: Class
formula: C20H24D8O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9-,13-10-,17-14+/t19-/m0/s1/i6D,7D,9D,10D,11D,13D,17D,19D
inchikey: KATOYYZUTNAWSA-KTKFBEHZSA-N
monoisotopicmass: 3.28285359E2
label: 9S-hydroxy-eicosa-5Z,7E,11Z,14Z-tetraenoic-5,6,8,9,11,12,14,15-d8 acid
subclass of: https://www.lipidmaps.org/rdf/category/10306

(+/-)-4-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-18-20(22)23/h6-7,9-10,12-13,15-16,19,21H,2-5,8,11,14,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-15-
inchikey: OANCFQPDMGFQMG-DOFZRALJSA-N
monoisotopicmass: 3.20235146E2
label: 4-HETE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O

(+/-)12-HpETE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+
inchikey: ZIOZYRSDNLNNNJ-VXBMJZGYSA-N
monoisotopicmass: 3.36230061E2
label: 12-hydroperoxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10306
abbrev: FA 20:4;O2

(+/-)15-HETE-d8
type: Class
formula: C20H24D8O3
inchi: InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/i4D,5D,8D,9D,10D,11D,17D,19D
inchikey: JSFATNQSLKRBCI-HAVWKUCESA-N
monoisotopicmass: 3.28285359E2
label: 15-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid-d8
subclass of: https://www.lipidmaps.org/rdf/category/10306

5S-HpEPE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h3-4,6-7,9-10,12-14,16,19,23H,2,5,8,11,15,17-18H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
inchikey: NKXYOIJDQPQELO-GHWNLOBHSA-N
monoisotopicmass: 3.34214411E2
label: 5S-hydroperoxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_165271
abbrev: FA 20:5;O2

8R-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,14-11-,16-13+/t19-/m0/s1
inchikey: WLOUCHKFBGGNEB-CLXNAOOQSA-N
monoisotopicmass: 3.18219496E2
label: 8R-hydroxy-5Z,9E,11Z,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_165274
abbrev: FA 20:5;O

8S-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,14-11-,16-13+/t19-/m1/s1
inchikey: WLOUCHKFBGGNEB-CHGUASJCSA-N
monoisotopicmass: 3.18219496E2
label: 8S-hydroxy-5Z,9E,11Z,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
abbrev: FA 20:5;O

9S-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,17,19,21H,2,5,8,12,15-16,18H2,1H3,(H,22,23)/b4-3-,7-6-,11-9-,13-10-,17-14+/t19-/m0/s1
inchikey: OXOPDAZWPWFJEW-FPRWAWDYSA-N
monoisotopicmass: 3.18219496E2
label: 9S-hydroxy-5Z,7E,11Z,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_165275
abbrev: FA 20:5;O

11R-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)/b4-3-,9-6-,10-7-,14-11-,16-13+/t19-/m0/s1
inchikey: IDEHSDHMEMMYIR-DJWFCICMSA-N
monoisotopicmass: 3.18219496E2
label: 11R-hydroxy-5Z,8Z,12E,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_91264
abbrev: FA 20:5;O

11S-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)/b4-3-,9-6-,10-7-,14-11-,16-13+/t19-/m1/s1
inchikey: IDEHSDHMEMMYIR-HODZVVMCSA-N
monoisotopicmass: 3.18219496E2
label: 11S-hydroxy-5Z,8Z,12E,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_165262
abbrev: FA 20:5;O

12R-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
inchikey: MCRJLMXYVFDXLS-IHWYZUJNSA-N
monoisotopicmass: 3.18219496E2
label: 12R-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_165265
abbrev: FA 20:5;O

12S-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
inchikey: MCRJLMXYVFDXLS-UOLHMMFFSA-N
monoisotopicmass: 3.18219496E2
label: 12S-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_88345
abbrev: FA 20:5;O

15S-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m0/s1
inchikey: WLKCSMCLEKGITB-DBVSHIMFSA-N
monoisotopicmass: 3.18219496E2
label: 15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_88347
equivalent class: SLM_000501479
abbrev: FA 20:5;O

5S-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
inchikey: FTAGQROYQYQRHF-GHWNLOBHSA-N
monoisotopicmass: 3.18219496E2
label: 5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_140934
abbrev: FA 20:5;O

12S-HpEPE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h3-4,7-11,13-14,17,19,23H,2,5-6,12,15-16,18H2,1H3,(H,21,22)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
inchikey: HDMYXONNVAOHFR-UOLHMMFFSA-N
monoisotopicmass: 3.34214411E2
label: 12S-hydroperoxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_90996
equivalent class: SLM_000501095
abbrev: FA 20:5;O2

15S-HpEPE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h3-5,8-11,13-14,17,19,23H,2,6-7,12,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,13-3-,17-14+
inchikey: FPMFSFWYWZLDKP-XWJJKCKWSA-N
monoisotopicmass: 3.34214411E2
label: 15S-hydroperoxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_165266
abbrev: FA 20:5;O2

methyl 6-hydroperoxy-4,8,11,14,17-eicosapentaenoate
type: Class
formula: C21H32O4
inchi: InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20(25-23)18-15-16-19-21(22)24-2/h4-5,7-8,10-11,13-15,18,20,23H,3,6,9,12,16-17,19H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,18-15-
inchikey: FLFGTTDEJGTDGY-BTMOMFKHSA-N
monoisotopicmass: 3.48230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10307
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_197271
abbrev: FA 21:5;O2

methyl 8-hydroperoxy-5,9,11,14,17-eicosapentaenoate
type: Class
formula: C21H32O4
inchi: InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-11-14-17-20(25-23)18-15-12-13-16-19-21(22)24-2/h4-5,7-8,10-12,14-15,17,20,23H,3,6,9,13,16,18-19H2,1-2H3/b5-4-,8-7-,11-10-,15-12-,17-14+
inchikey: RPNGXJGENMMHNE-YMSLFUGYSA-N
monoisotopicmass: 3.48230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10307
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_197244
abbrev: FA 21:5;O2

methyl 9-hydroperoxy-5,7,11,14,17-eicosapentaenoate
type: Class
formula: C21H32O4
inchi: InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-11-14-17-20(25-23)18-15-12-10-13-16-19-21(22)24-2/h4-5,7-8,10-12,14-15,18,20,23H,3,6,9,13,16-17,19H2,1-2H3/b5-4-,8-7-,12-10-,14-11-,18-15+
inchikey: GDSKYKXCFPEIPI-FPCPCMOOSA-N
monoisotopicmass: 3.48230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10307
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_197269
abbrev: FA 21:5;O2

methyl 11-hydroperoxy-5,8,12,14,17-eicosapentaenoate
type: Class
formula: C21H32O4
inchi: InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-11-14-17-20(25-23)18-15-12-10-13-16-19-21(22)24-2/h4-5,7-12,18,23H,3,6,13-17,19H2,1-2H3/b5-4-,8-7-,11-9+,12-10-,20-18+
inchikey: FJAXIOQOBQWBDS-ZOZYKHBLSA-N
monoisotopicmass: 3.48230061E2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10307
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 21:5;O2

18R-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m1/s1
inchikey: LRWYBGFSVUBWMO-UAAZXLHOSA-N
monoisotopicmass: 3.18219496E2
label: 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_81563
equivalent class: SLM_000501300
abbrev: FA 20:5;O

5S,6S-epoxy,18R-hydroxy-7E,9E,11Z,14Z,16E-eicosapentaenoic acid
type: Class
formula: C20H28O4
inchi: InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18+,19+/m1/s1
inchikey: ZPAJZAMPZXISSE-SIPVSCHGSA-N
monoisotopicmass: 3.32198761E2
label: 5S,6S-epoxy-18R-HEPE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_132909
equivalent class: SLM_000501503
abbrev: FA 20:6;O2

(+/-)-5-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+
inchikey: FTAGQROYQYQRHF-FCWZHQICSA-N
monoisotopicmass: 3.18219496E2
label: (+/-)-5-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_72801
equivalent class: SLM_000501244
abbrev: FA 20:5;O

(+/-)-8-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,14-11-,16-13+
inchikey: WLOUCHKFBGGNEB-GXIKJMEPSA-N
monoisotopicmass: 3.18219496E2
label: (+/-)-8-hydroxy-5Z,9E,11Z,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_157747
abbrev: FA 20:5;O

(+/-)-9-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,17,19,21H,2,5,8,12,15-16,18H2,1H3,(H,22,23)/b4-3-,7-6-,11-9-,13-10-,17-14+
inchikey: OXOPDAZWPWFJEW-IMCWFPBLSA-N
monoisotopicmass: 3.18219496E2
label: (+/-)-9-hydroxy-5Z,7E,11Z,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_89570
abbrev: FA 20:5;O

(+/-)-11-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)/b4-3-,9-6-,10-7-,14-11-,16-13+
inchikey: IDEHSDHMEMMYIR-WSAGHCNZSA-N
monoisotopicmass: 3.18219496E2
label: (+/-)-11-hydroxy-5Z,8Z,12E,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_131889
abbrev: FA 20:5;O

(+/-)-12-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+
inchikey: MCRJLMXYVFDXLS-QGQBRVLBSA-N
monoisotopicmass: 3.18219496E2
label: (+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_72645
abbrev: FA 20:5;O

(+/-)-15-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+
inchikey: WLKCSMCLEKGITB-XWJJKCKWSA-N
monoisotopicmass: 3.18219496E2
label: (+/-)-15-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_72627
abbrev: FA 20:5;O

(+/-)-18-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+
inchikey: LRWYBGFSVUBWMO-UXNZXXPISA-N
monoisotopicmass: 3.18219496E2
label: (+/-)-18-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_72802
equivalent class: SLM_000501148
abbrev: FA 20:5;O

5S-Hp-18R-HEPE
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(25-24)16-13-17-20(22)23/h3-4,7-12,14-15,18-19,21,24H,2,5-6,13,16-17H2,1H3,(H,22,23)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19-/m1/s1
inchikey: JIOJPWROWDJRKM-NNQKPOSRSA-N
monoisotopicmass: 3.50209326E2
label: 5S-hydroperoxy-18R-hydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_132908
equivalent class: SLM_000501502
abbrev: FA 20:5;O3

15R-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m1/s1
inchikey: WLKCSMCLEKGITB-MXTKCVSJSA-N
monoisotopicmass: 3.18219496E2
label: 15R-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_91140
equivalent class: SLM_000501299
abbrev: FA 20:5;O

18S-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m0/s1
inchikey: LRWYBGFSVUBWMO-OKIFYYRFSA-N
monoisotopicmass: 3.18219496E2
label: 18S-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_132801
equivalent class: SLM_000501480
abbrev: FA 20:5;O

5S-Hp-18S-HEPE
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(25-24)16-13-17-20(22)23/h3-4,7-12,14-15,18-19,21,24H,2,5-6,13,16-17H2,1H3,(H,22,23)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19+/m0/s1
inchikey: JIOJPWROWDJRKM-SFHVADPASA-N
monoisotopicmass: 3.50209326E2
label: 5S-hydroperoxy-18S-hydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_132802
equivalent class: SLM_000501481
abbrev: FA 20:5;O3

5S,6-Ep-18S-HEPE
type: Class
formula: C20H28O4
inchi: InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18+,19-/m0/s1
inchikey: ZPAJZAMPZXISSE-RXTGXWMYSA-N
monoisotopicmass: 3.32198761E2
label: 5S,6-epoxy,18S-hydroxy-7E,9E,11Z,14Z,16E-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_138490
abbrev: FA 20:6;O2

5,12,18-trihydroxy-6E,8E,10E,14Z,16Z-eicosapentaenoic acid
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8-,12-6+,13-7+
inchikey: AOPOCGPBAIARAV-KLEUAVBUSA-N
monoisotopicmass: 3.50209326E2
label: 6-trans-5,12,18-triHEPE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_165272
abbrev: FA 20:5;O3

5,6,18-triHEPE
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18(22)19(23)15-12-16-20(24)25/h3,5-11,13-14,17-19,21-23H,2,4,12,15-16H2,1H3,(H,24,25)/b5-3+,8-6-,9-7+,13-10-,14-11+
inchikey: JQFGUBLRJFEKMI-JBEGQGOPSA-N
monoisotopicmass: 3.50209326E2
label: 5,6,18-trihydroxy-7E,9E,11E,14Z,16Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_165270
abbrev: FA 20:5;O3

18R-HpEPE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-19(24-23)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h4-7,10-13,15,17,19,23H,2-3,8-9,14,16,18H2,1H3,(H,21,22)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m1/s1
inchikey: ZNUBMQUXCKZUTC-UAAZXLHOSA-N
monoisotopicmass: 3.34214411E2
label: 18R-hydroperoxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_138565
abbrev: FA 20:5;O2

11,18-di-HEPE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-18(21)14-10-8-9-12-16-19(22)15-11-6-4-3-5-7-13-17-20(23)24/h3,5-6,8-12,14,16,18-19,21-22H,2,4,7,13,15,17H2,1H3,(H,23,24)/b5-3-,9-8-,11-6-,14-10+,16-12+
inchikey: RWHZIKMTLJOOEH-UGKOSZQGSA-N
monoisotopicmass: 3.34214411E2
label: 11,18-dihydroxy-5Z,8Z,12E,14Z,16E-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_165261
abbrev: FA 20:5;O2

12,18-di-HEPE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-18(21)14-11-9-12-16-19(22)15-10-7-5-3-4-6-8-13-17-20(23)24/h4-7,9-12,14-15,18-19,21-22H,2-3,8,13,16-17H2,1H3,(H,23,24)/b6-4-,7-5-,12-9-,14-11+,15-10+
inchikey: HIFJAIFWUBZVMA-CJNYYIDWSA-N
monoisotopicmass: 3.34214411E2
label: 12,18-dihydroxy-5Z,8Z,10E,14Z,16E-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_165263
abbrev: FA 20:5;O2

8,18-di-HEPE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-18(21)14-10-6-4-3-5-7-11-15-19(22)16-12-8-9-13-17-20(23)24/h4-8,10-12,14-15,18-19,21-22H,2-3,9,13,16-17H2,1H3,(H,23,24)/b6-4-,7-5-,12-8-,14-10+,15-11+
inchikey: XFYXZNAYFJZWSH-WHXLDRDUSA-N
monoisotopicmass: 3.34214411E2
label: 8,18-dihydroxy-5Z,9E,11Z,14Z,16E-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
equivalent class: CHEBI_165273
abbrev: FA 20:5;O2

(5Z,8Z,11Z,13E,17Z)-16-hydroxyicosa-5,8,11,13,17-pentaenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h3-5,8-12,14,16,19,21H,2,6-7,13,15,17-18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,14-12+,16-3-
inchikey: UDXLGBLAJBYLSZ-XBCQTNLFSA-N
monoisotopicmass: 3.18219496E2
label: 16-HEPE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
abbrev: FA 20:5;O

(5Z,8Z,11E,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5+,12-10-,13-11-,17-15+/t19-/m0/s1
inchikey: LRWYBGFSVUBWMO-NQZHIPPKSA-N
monoisotopicmass: 3.18219496E2
label: 18S-HEPE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
abbrev: FA 20:5;O

14-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h3-5,7-8,10-11,13-14,16,19,21H,2,6,9,12,15,17-18H2,1H3,(H,22,23)/b4-3-,7-5-,10-8-,14-11-,16-13+
inchikey: QMOSHXZFUNVXRH-JGGDOZJASA-N
monoisotopicmass: 3.18219496E2
label: 14-hydroxy-5Z,8Z,11Z,15E,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10307
abbrev: FA 20:5;O

14-HpEPE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-13-16-19(24-23)17-14-11-9-7-5-6-8-10-12-15-18-20(21)22/h3-5,7-8,10-11,13-14,16,19,23H,2,6,9,12,15,17-18H2,1H3,(H,21,22)/b4-3-,7-5-,10-8-,14-11-,16-13+
inchikey: COEIBNZIAHZZOL-JGGDOZJASA-N
monoisotopicmass: 3.34214411E2
label: 14-hydroperoxy-5Z,8Z,11Z,15E,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10307
abbrev: FA 20:5;O2

9S-HpEPE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h3-4,6-7,9-11,13-14,17,19,23H,2,5,8,12,15-16,18H2,1H3,(H,21,22)/b4-3-,7-6-,11-9-,13-10-,17-14+/t19-/m0/s1
inchikey: XQBNQSMKCKBWMY-FPRWAWDYSA-N
monoisotopicmass: 3.34214411E2
label: 9S-hydroperoxy-5Z,7E,11Z,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10307
abbrev: FA 20:5;O2

5R-HEPE
type: Class
formula: C20H30O3
inchi: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m0/s1
inchikey: FTAGQROYQYQRHF-CBVHGRPESA-N
monoisotopicmass: 3.18219496E2
label: 5R-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10307
abbrev: FA 20:5;O

5R-HpEPE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h3-4,6-7,9-10,12-14,16,19,23H,2,5,8,11,15,17-18H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m0/s1
inchikey: NKXYOIJDQPQELO-CBVHGRPESA-N
monoisotopicmass: 3.34214411E2
label: 5R-hydroperoxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10307
abbrev: FA 20:5;O2

12R,13R-dihydroxy-eicosa-5Z,8Z,10E,14Z,17Z-pentaenoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-9-12-15-18(21)19(22)16-13-10-7-5-6-8-11-14-17-20(23)24/h3-4,6-8,10,12-13,15-16,18-19,21-22H,2,5,9,11,14,17H2,1H3,(H,23,24)/b4-3-,8-6-,10-7-,15-12-,16-13+/t18-,19-/m1/s1
inchikey: XJVATZRQYYFGGW-BTVANTHESA-N
monoisotopicmass: 3.34214411E2
subclass of: https://www.lipidmaps.org/rdf/category/10307
abbrev: FA 20:5;O2

9,15-diHEPE
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-8-13-18(21)15-10-7-11-16-19(22)14-9-5-4-6-12-17-20(23)24/h3-5,7-11,14-15,18-19,21-22H,2,6,12-13,16-17H2,1H3,(H,23,24)/b5-4-,8-3-,11-7-,14-9+,15-10+/t18-,19+/m0/s1
inchikey: USFLBPHJECVHHL-PQHBQWAWSA-N
monoisotopicmass: 3.34214411E2
label: 9S,15S-dihydroxy-5Z,7E,11Z,13E,17Z-eicosapentaenoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307
abbrev: FA 20:5;O2

15S-HEPE-d5
type: Class
formula: C20H25D5O3
inchi: InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m0/s1/i1D3,2D2
inchikey: WLKCSMCLEKGITB-SUTOMXFYSA-N
monoisotopicmass: 3.23250879E2
label: 15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic-19,19,20,20,20-d5 acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10307

14R,15S-EpETrE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/t18-,19+/m0/s1
inchikey: JBSCUHKPLGKXKH-LLZJRKGESA-N
monoisotopicmass: 3.20235146E2
label: 14R,15S-epoxy-5Z,8Z,11Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_132275
equivalent class: SLM_000501487
abbrev: FA 20:4;O

(+/-)5,6-EpETrE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
inchikey: VBQNSZQZRAGRIX-QNEBEIHSSA-N
monoisotopicmass: 3.20235146E2
label: 5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_34450
equivalent class: SLM_000501492
abbrev: FA 20:4;O

(+/-)8,9-EpETrE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-
inchikey: DBWQSCSXHFNTMO-TYAUOURKSA-N
monoisotopicmass: 3.20235146E2
label: 8,9-epoxy-5Z,11Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_34490
equivalent class: SLM_000501366
abbrev: FA 20:4;O

(+/-)11,12-EpETrE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-
inchikey: DXOYQVHGIODESM-KROJNAHFSA-N
monoisotopicmass: 3.20235146E2
label: 11,12-epoxy-5Z,8Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_34130
equivalent class: SLM_000389384
abbrev: FA 20:4;O

(+/-)14,15-EpETrE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-
inchikey: JBSCUHKPLGKXKH-ILYOTBPNSA-N
monoisotopicmass: 3.20235146E2
label: 14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_34157
equivalent class: SLM_000501363
abbrev: FA 20:4;O

(+/-)11,12-Ep-15S-HETrE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-9-12-17(21)15-16-19-18(24-19)13-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1
inchikey: GELFSVXLSDZDHE-YZSNCDGGSA-N
monoisotopicmass: 3.36230061E2
label: 11,12-epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_34160
abbrev: FA 20:4;O2

11-hydroxy-14,15-epoxy-5Z,8Z,12E-eicosatrienoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+
inchikey: WLMZMBKVRPUYIG-LTCHCNGXSA-N
monoisotopicmass: 3.36230061E2
label: 14,15-Ep-11-HETrE
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_34137
abbrev: FA 20:4;O2

(+/-)11,12-EpETrE-d8
type: Class
formula: C20H24D8O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-/i6D,8D,9D,10D,12D,13D,18D,19D
inchikey: DXOYQVHGIODESM-CXNOEZBLSA-N
monoisotopicmass: 3.28285359E2
label: 11,12-epoxy-5Z,8Z,14Z-eicosatrienoic acid-d8
subclass of: https://www.lipidmaps.org/rdf/category/10308

11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1
inchikey: SGTUOBURCVMACZ-CIQDQOFUSA-N
monoisotopicmass: 3.36230061E2
label: 11R,12S-epoxy-8-hydroxy-5Z,9E,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_15631
abbrev: FA 20:4;O2

14S,15R-EpETrE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/t18-,19+/m1/s1
inchikey: JBSCUHKPLGKXKH-KZTFMOQPSA-N
monoisotopicmass: 3.20235146E2
label: 14S,15R-epoxy-5Z,8Z,11Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_132274
equivalent class: SLM_000501486
abbrev: FA 20:4;O

11S,12R-EpETrE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-/t18-,19+/m1/s1
inchikey: DXOYQVHGIODESM-LZXKBWHHSA-N
monoisotopicmass: 3.20235146E2
label: 11S,12R-epoxy-5Z,8Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_132276
equivalent class: SLM_000501488
abbrev: FA 20:4;O

11R,12S-EpETrE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-/t18-,19+/m0/s1
inchikey: DXOYQVHGIODESM-MFYAFOOZSA-N
monoisotopicmass: 3.20235146E2
label: 11R,12S-epoxy-5Z,8Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_132277
equivalent class: SLM_000501489
abbrev: FA 20:4;O

5R,6S-EpETrE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-/t18-,19+/m0/s1
inchikey: VBQNSZQZRAGRIX-SWFISBABSA-N
monoisotopicmass: 3.20235146E2
label: 5R,6S-epoxy-8Z,11Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_165259
abbrev: FA 20:4;O

5S,6R-EpETrE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-/t18-,19+/m1/s1
inchikey: VBQNSZQZRAGRIX-GSKBNKFLSA-N
monoisotopicmass: 3.20235146E2
label: 5S,6R-epoxy-8Z,11Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_165260
abbrev: FA 20:4;O

8R,9S-EpETrE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-/t18-,19+/m0/s1
inchikey: DBWQSCSXHFNTMO-QJVNBQAESA-N
monoisotopicmass: 3.20235146E2
label: 8R,9S-epoxy-5Z,11Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_132303
equivalent class: SLM_000501490
abbrev: FA 20:4;O

8S,9R-EpETrE
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-/t18-,19+/m1/s1
inchikey: DBWQSCSXHFNTMO-ZZMPYBMWSA-N
monoisotopicmass: 3.20235146E2
label: 8S,9R-epoxy-5Z,11Z,14Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308
equivalent class: CHEBI_132302
equivalent class: SLM_000501491
abbrev: FA 20:4;O

(11S,12R)-Ep-15S-HETrE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-9-12-17(21)15-16-19-18(24-19)13-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+/t17-,18-,19-/m0/s1
inchikey: GELFSVXLSDZDHE-CHDPIHKSSA-N
monoisotopicmass: 3.36230061E2
label: 11S,12R-epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10308
abbrev: FA 20:4;O2

(13R,14R)-Ep-15S-HETrE
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-11-14-17(21)20-18(24-20)15-12-9-7-5-4-6-8-10-13-16-19(22)23/h5-8,12,15,17-18,20-21H,2-4,9-11,13-14,16H2,1H3,(H,22,23)/b7-5-,8-6-,15-12-/t17-,18-,20-/m1/s1
inchikey: KNJWDUHQLSDUOA-SJLPXBNNSA-N
monoisotopicmass: 3.36230061E2
label: 13R,14R-epoxy-15S-hydroxy-5Z,8Z,11Z-eicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10308
abbrev: FA 20:4;O2

(+-)11(12)-epoxy-5Z,8Z,14Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20-d11 acid
type: Class
formula: C20H21D11O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-/i1D3,2D2,3D2,4D2,5D2
inchikey: DXOYQVHGIODESM-KPONSFRYSA-N
monoisotopicmass: 3.3130419E2
label: (+/-)11,12-EpETrE-d11
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308

(+/-)5(6)-epoxy-8Z,11Z,14Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20-d11
type: Class
formula: C20H21D11O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-/i1D3,2D2,3D2,4D2,5D2
inchikey: VBQNSZQZRAGRIX-UAPSQRHXSA-N
monoisotopicmass: 3.3130419E2
label: (+/-)5,6-EpETrE-d11
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308

(+/-)8(9)-epoxy-5Z,11Z,14Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20-d11
type: Class
formula: C20H21D11O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-/i1D3,2D2,3D2,4D2,5D2
inchikey: DBWQSCSXHFNTMO-BCEMLEMNSA-N
monoisotopicmass: 3.3130419E2
label: (+/-)8,9-EpETrE-d11
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308

(+/-)14,15-EpETrE-d11
type: Class
formula: C20H21D11O3
inchi: InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/i1D3,2D2,3D2,12D2,15D2
inchikey: JBSCUHKPLGKXKH-LNTVGFLJSA-N
monoisotopicmass: 3.3130419E2
label: 14,15-epoxy-5Z,8Z,11Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20-d11 acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10308

8,11R,12S-trihydroxy-5Z,9E,14Z-eicosatrienoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1
inchikey: WPLPEZUSILBTGP-CIQDQOFUSA-N
monoisotopicmass: 3.54240626E2
label: Trioxilin A3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10309
equivalent class: CHEBI_36203
equivalent class: SLM_000000987
abbrev: FA 20:3;O3

10-hydroxy-11S,12S-epoxy-5Z,8Z,14Z-eicosatrienoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20-/m0/s1
inchikey: DWNBPRRXEVJMPO-RNGYDEEPSA-N
monoisotopicmass: 3.36230061E2
label: Hepoxilin B3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10309
equivalent class: CHEBI_34784
abbrev: FA 20:4;O2

10,11S,12R-trihydroxy-5Z,8Z,14Z-eicosatrienoic acid
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h6-8,11-12,15,17-18,20-22,25H,2-5,9-10,13-14,16H2,1H3,(H,23,24)/b7-6-,11-8-,15-12-/t17-,18?,20+/m1/s1
inchikey: GOHNIXDAQODZKP-OZPSOFALSA-N
monoisotopicmass: 3.54240626E2
label: Trioxilin B3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10309
equivalent class: CHEBI_35032
equivalent class: SLM_000000989
abbrev: FA 20:3;O3

8-hydroxy-11S,12S-epoxy-5Z,14Z,9E-eicosatrienoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19-/m0/s1
inchikey: SGTUOBURCVMACZ-SEVPPISGSA-N
monoisotopicmass: 3.36230061E2
label: Hepoxilin A3
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10309
equivalent class: CHEBI_36190
abbrev: FA 20:4;O2

13R-hydroxy-14S,15S-epoxy-5Z,8Z,11Z-eicosatrienoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-11-15-18-20(24-18)17(21)14-12-9-7-5-4-6-8-10-13-16-19(22)23/h5-8,12,14,17-18,20-21H,2-4,9-11,13,15-16H2,1H3,(H,22,23)/b7-5-,8-6-,14-12-/t17-,18+,20+/m1/s1
inchikey: FMRVHRPEVIVXKX-ZJIVTKJASA-N
monoisotopicmass: 3.36230061E2
label: 14,15-HxB3 (13R)
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10309
equivalent class: CHEBI_75700
equivalent class: SLM_000000963
abbrev: FA 20:4;O2

11S-hydroxy-14S,15S-epoxy-5Z,8Z,12E-eicosatrienoic acid
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+/t17-,18-,19-/m0/s1
inchikey: WLMZMBKVRPUYIG-CHDPIHKSSA-N
monoisotopicmass: 3.36230061E2
label: 14,15-HxA3 (11S)
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10309
equivalent class: CHEBI_132886
equivalent class: SLM_000501500
abbrev: FA 20:4;O2

11S,15S-dihydroxy-14R-(S-glutathionyl)-5Z,8Z,12E-eicosatrienoic acid
type: Class
formula: C30H49N3O10S
inchi: InChI=1S/C30H49N3O10S/c1-2-3-9-13-24(35)25(17-15-21(34)12-10-7-5-4-6-8-11-14-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-16-22(31)30(42)43/h4,6-7,10,15,17,21-25,34-35H,2-3,5,8-9,11-14,16,18-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b6-4-,10-7-,17-15+/t21-,22-,23-,24-,25+/m0/s1
inchikey: JHBHHPKTNQAMGQ-MHUJEVIJSA-N
monoisotopicmass: 6.43313868E2
label: 14,15-HxA3-C(11S)
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10309
equivalent class: CHEBI_132883
equivalent class: SLM_000501501

11S,15S-dihydroxy-14R-(S-cysteinyl-glycyl)-5Z,8Z,12E-eicosatrienoic acid
type: Class
formula: C25H42N2O7S
inchi: InChI=1S/C25H42N2O7S/c1-2-3-9-13-21(29)22(35-18-20(26)25(34)27-17-24(32)33)16-15-19(28)12-10-7-5-4-6-8-11-14-23(30)31/h4,6-7,10,15-16,19-22,28-29H,2-3,5,8-9,11-14,17-18,26H2,1H3,(H,27,34)(H,30,31)(H,32,33)/b6-4-,10-7-,16-15+/t19-,20-,21-,22+/m0/s1
inchikey: PPVZAWNVARPNML-FSHNSKAYSA-N
monoisotopicmass: 5.14271274E2
label: 14,15-HxA3-D(11S)
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10110
subclass of: https://www.lipidmaps.org/rdf/category/10309
equivalent class: CHEBI_184610

(5E,8E)-10-{3-[(2E)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid
type: Class
formula: C20H32O3
inchi: InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6+,12-9+,13-10+
inchikey: DXOYQVHGIODESM-ATELOPIESA-N
monoisotopicmass: 3.20235146E2
label: 11,12-Epoxyeicosatrienoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10309
equivalent class: CHEBI_171868
abbrev: FA 20:4;O

Methyl-(10S)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z,17Z)-eicosa-(5,8,14,17)-tetraenoate
type: Class
formula: C21H32O4
inchi: InChI=1S/C21H32O4/c1-3-4-5-6-10-13-16-19-21(25-19)18(22)15-12-9-7-8-11-14-17-20(23)24-2/h4-5,7-8,10,12-13,15,18-19,21-22H,3,6,9,11,14,16-17H2,1-2H3/b5-4-,8-7-,13-10-,15-12-/t18-,19+,21+/m1/s1
inchikey: TZZBJXZCAVSJCY-LUQRYRFISA-N
monoisotopicmass: 3.48230061E2
label: Methyl-(10S)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z,17Z)-eicosatetraenoate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10309
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_187614
abbrev: FA 21:5;O2

Methyl-(10R)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z,17Z)-eicosa-(5,8,14,17)-tetraenoate
type: Class
formula: C21H32O4
inchi: InChI=1S/C21H32O4/c1-3-4-5-6-10-13-16-19-21(25-19)18(22)15-12-9-7-8-11-14-17-20(23)24-2/h4-5,7-8,10,12-13,15,18-19,21-22H,3,6,9,11,14,16-17H2,1-2H3/b5-4-,8-7-,13-10-,15-12-/t18-,19-,21-/m0/s1
inchikey: TZZBJXZCAVSJCY-XMRHUZDPSA-N
monoisotopicmass: 3.48230061E2
label: Methyl-(10R)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z,17Z)-eicosatetraenoate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10309
subclass of: https://www.lipidmaps.org/rdf/category/10710
equivalent class: CHEBI_187748
abbrev: FA 21:5;O2

Methyl-(10R)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z)-eicosatrienoate
type: Class
formula: C21H34O4
inchi: InChI=1S/C21H34O4/c1-3-4-5-6-10-13-16-19-21(25-19)18(22)15-12-9-7-8-11-14-17-20(23)24-2/h7-8,10,12-13,15,18-19,21-22H,3-6,9,11,14,16-17H2,1-2H3/b8-7-,13-10-,15-12-/t18-,19-,21-/m0/s1
inchikey: PCSYHGQVLFQXBT-RLETZYLZSA-N
monoisotopicmass: 3.50245711E2
label: Methyl-10R-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z)-eicosa-(5,8,14)-trienoate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10309
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 21:4;O2

Methyl-(10S)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z)-eicosatrienoate
type: Class
formula: C21H34O4
inchi: InChI=1S/C21H34O4/c1-3-4-5-6-10-13-16-19-21(25-19)18(22)15-12-9-7-8-11-14-17-20(23)24-2/h7-8,10,12-13,15,18-19,21-22H,3-6,9,11,14,16-17H2,1-2H3/b8-7-,13-10-,15-12-/t18-,19+,21+/m1/s1
inchikey: PCSYHGQVLFQXBT-ZKOZPKCDSA-N
monoisotopicmass: 3.50245711E2
label: Methyl-10S-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z)-eicosa-(5,8,14)-trienoate
subclass of: https://www.lipidmaps.org/rdf/category/10102
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10309
subclass of: https://www.lipidmaps.org/rdf/category/10710
abbrev: FA 21:4;O2

10-hydroxy-11R,12S- epoxyeicosa-5Z,8Z,14Z,17Z-tetraenoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h3-4,6-7,9,11-12,14,17-18,20-21H,2,5,8,10,13,15-16H2,1H3,(H,22,23)/b4-3-,7-6-,12-9-,14-11-/t17?,18-,20+/m0/s1
inchikey: OBMDDWFJCHGNRL-CVCWIQEXSA-N
monoisotopicmass: 3.34214411E2
label: Hepoxilin B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10309
abbrev: FA 20:5;O2

8-hydroxy-11S,12S-epoxy-5Z,9E,14Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h3-4,6-7,9-10,15-19,21H,2,5,8,11-14H2,1H3,(H,22,23)/b4-3-,9-7-,10-6-,16-15+/t17?,18-,19-/m0/s1
inchikey: GBSGALHVICSTLU-JHORJHIGSA-N
monoisotopicmass: 3.34214411E2
label: Hepoxilin A4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10107
subclass of: https://www.lipidmaps.org/rdf/category/10309
abbrev: FA 20:5;O2

8,11,12-trihydroxy-5Z,9E,14Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h3-4,6-7,9-10,15-19,21-23H,2,5,8,11-14H2,1H3,(H,24,25)/b4-3-,9-7-,10-6-,16-15+
inchikey: GWRXSUUNZUWJCL-VZJNBGJCSA-N
monoisotopicmass: 3.52224976E2
label: Trioxilin A4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10309
abbrev: FA 20:4;O3

10,11,12-trihydroxy-5Z,8Z,14Z,17Z-eicosatetraenoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h3-4,6-8,11-12,15,17-18,20-22,25H,2,5,9-10,13-14,16H2,1H3,(H,23,24)/b4-3-,7-6-,11-8-,15-12-
inchikey: ZFEDJGVEKTWFMY-GMNRJPAISA-N
monoisotopicmass: 3.52224976E2
label: Trioxilin B4
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10309
abbrev: FA 20:4;O3

(8R,12R)-10,11-seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1
inchikey: WJWAORNTZNRHBP-QNUMDXCLSA-N
monoisotopicmass: 3.52224976E2
label: LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
equivalent class: CHEBI_34821
abbrev: FA 20:4;O3

(8R,12R)-9,10-seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1
inchikey: MLLWPVVMXGUOHD-QNUMDXCLSA-N
monoisotopicmass: 3.52224976E2
label: LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
equivalent class: CHEBI_34820
abbrev: FA 20:4;O3

9,10-seco-9,11-dioxo-15-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+
inchikey: MLLWPVVMXGUOHD-FCBYNYORSA-N
monoisotopicmass: 3.52224976E2
label: isoLGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

10,11-seco-9,11-dioxo-15-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+
inchikey: WJWAORNTZNRHBP-FCBYNYORSA-N
monoisotopicmass: 3.52224976E2
label: isoLGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8S,12R)-10,11-seco-9,11-dioxo-15R-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18+,19+/m0/s1
inchikey: WJWAORNTZNRHBP-WILRFSIMSA-N
monoisotopicmass: 3.52224976E2
label: 15-epi-15-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8R,12S)-10,11-seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18+,19+/m1/s1
inchikey: WJWAORNTZNRHBP-JDYUQSAGSA-N
monoisotopicmass: 3.52224976E2
label: ent-15-epi-15-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8R,12S)-10,11-seco-9,11-dioxo-15R-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m1/s1
inchikey: WJWAORNTZNRHBP-FLLQPNGZSA-N
monoisotopicmass: 3.52224976E2
label: ent-15-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8S,12R)-10,11-seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m0/s1
inchikey: WJWAORNTZNRHBP-LBONXFAWSA-N
monoisotopicmass: 3.52224976E2
label: 15-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(5S,9R)-7,8-seco-6,8-dioxo-12R-hydroxy-10E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-10-18(23)14-13-17(15-21)19(16(2)22)11-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18+,19+/m0/s1
inchikey: GBEDJTHHSCZHJV-KFODYRDWSA-N
monoisotopicmass: 3.52224976E2
label: 12-epi-12-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(5R,9S)-7,8-seco-6,8-dioxo-12S-hydroxy-10E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-10-18(23)14-13-17(15-21)19(16(2)22)11-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18+,19+/m1/s1
inchikey: GBEDJTHHSCZHJV-GQGWQZIRSA-N
monoisotopicmass: 3.52224976E2
label: ent-12-epi-12-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(5R,9S)-7,8-seco-6,8-dioxo-12R-hydroxy-10E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-10-18(23)14-13-17(15-21)19(16(2)22)11-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18-,19+/m1/s1
inchikey: GBEDJTHHSCZHJV-GJXUSZJUSA-N
monoisotopicmass: 3.52224976E2
label: ent-12-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(5S,9R)-7,8-seco-6,8-dioxo-12S-hydroxy-10E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-10-18(23)14-13-17(15-21)19(16(2)22)11-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18-,19+/m0/s1
inchikey: GBEDJTHHSCZHJV-FHEBZHCZSA-N
monoisotopicmass: 3.52224976E2
label: 12-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(11S,15R)-13,14-seco-12,14-dioxo-8R-hydroxy-5Z,9E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-10-17(15-21)19(16(2)22)14-13-18(23)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18+,19+/m0/s1
inchikey: KESUZKAIGAYGSL-WILRFSIMSA-N
monoisotopicmass: 3.52224976E2
label: 8-epi-8-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(11R,15S)-13,14-seco-12,14-dioxo-8S-hydroxy-5Z,9E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-10-17(15-21)19(16(2)22)14-13-18(23)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18+,19+/m1/s1
inchikey: KESUZKAIGAYGSL-JDYUQSAGSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-epi-8-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(11R,15S)-13,14-seco-12,14-dioxo-8R-hydroxy-5Z,9E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-10-17(15-21)19(16(2)22)14-13-18(23)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m1/s1
inchikey: KESUZKAIGAYGSL-FLLQPNGZSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(11S,15R)-13,14-seco-12,14-dioxo-8S-hydroxy-5Z,9E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-10-17(15-21)19(16(2)22)14-13-18(23)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m0/s1
inchikey: KESUZKAIGAYGSL-LBONXFAWSA-N
monoisotopicmass: 3.52224976E2
label: 8-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8S,12R)-10,11-seco-9,11-dioxo-5R-hydroxy-6E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-10-17(15-21)19(16(2)22)14-13-18(23)11-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18+,19+/m0/s1
inchikey: NAVKVZDJPSOUFI-KFODYRDWSA-N
monoisotopicmass: 3.52224976E2
label: 5-epi-5-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8R,12S)-10,11-seco-9,11-dioxo-5S-hydroxy-6E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-10-17(15-21)19(16(2)22)14-13-18(23)11-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18+,19+/m1/s1
inchikey: NAVKVZDJPSOUFI-GQGWQZIRSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-epi-5-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8R,12S)-10,11-seco-9,11-dioxo-5R-hydroxy-6E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-10-17(15-21)19(16(2)22)14-13-18(23)11-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18-,19+/m1/s1
inchikey: NAVKVZDJPSOUFI-GJXUSZJUSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8S,12R)-10,11-seco-9,11-dioxo-5S-hydroxy-6E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-10-17(15-21)19(16(2)22)14-13-18(23)11-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18-,19+/m0/s1
inchikey: NAVKVZDJPSOUFI-FHEBZHCZSA-N
monoisotopicmass: 3.52224976E2
label: 5-iso-LGE2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8S,12R)-9,10-seco-9,11-dioxo-15R-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m1/s1
inchikey: MLLWPVVMXGUOHD-FLLQPNGZSA-N
monoisotopicmass: 3.52224976E2
label: 15-epi-15-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8R,12S)-9,10-seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m0/s1
inchikey: MLLWPVVMXGUOHD-LBONXFAWSA-N
monoisotopicmass: 3.52224976E2
label: ent-15-epi-15-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8R,12S)-9,10-seco-9,11-dioxo-15R-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18+,19+/m0/s1
inchikey: MLLWPVVMXGUOHD-WILRFSIMSA-N
monoisotopicmass: 3.52224976E2
label: ent-15-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8S,12R)-9,10-seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18+,19+/m1/s1
inchikey: MLLWPVVMXGUOHD-JDYUQSAGSA-N
monoisotopicmass: 3.52224976E2
label: 15-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(5S,9R)-6,7-seco-6,8-dioxo-12R-hydroxy-10E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-11-18(23)13-14-19(16(2)22)17(15-21)10-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18-,19+/m1/s1
inchikey: OIDBZKONWRAKKZ-GJXUSZJUSA-N
monoisotopicmass: 3.52224976E2
label: 12-epi-12-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(5R,9S)-6,7-seco-6,8-dioxo-12S-hydroxy-10E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-11-18(23)13-14-19(16(2)22)17(15-21)10-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18-,19+/m0/s1
inchikey: OIDBZKONWRAKKZ-FHEBZHCZSA-N
monoisotopicmass: 3.52224976E2
label: ent-12-epi-12-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(5R,9S)-6,7-seco-6,8-dioxo-12R-hydroxy-10E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-11-18(23)13-14-19(16(2)22)17(15-21)10-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18+,19+/m0/s1
inchikey: OIDBZKONWRAKKZ-KFODYRDWSA-N
monoisotopicmass: 3.52224976E2
label: ent-12-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(5S,9R)-6,7-seco-6,8-dioxo-12S-hydroxy-10E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-11-18(23)13-14-19(16(2)22)17(15-21)10-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18+,19+/m1/s1
inchikey: OIDBZKONWRAKKZ-GQGWQZIRSA-N
monoisotopicmass: 3.52224976E2
label: 12-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(11S,15R)-12,13-seco-12,14-dioxo-8R-hydroxy-5Z,9E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-11-19(16(2)22)17(15-21)13-14-18(23)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m1/s1
inchikey: DCTVMVBKWMOBEQ-FLLQPNGZSA-N
monoisotopicmass: 3.52224976E2
label: 8-epi-8-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(11R,15S)-12,13-seco-12,14-dioxo-8S-hydroxy-5Z,9E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-11-19(16(2)22)17(15-21)13-14-18(23)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m0/s1
inchikey: DCTVMVBKWMOBEQ-LBONXFAWSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-epi-8-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(11R,15S)-12,13-seco-12,14-dioxo-8R-hydroxy-5Z,9E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-11-19(16(2)22)17(15-21)13-14-18(23)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18+,19+/m0/s1
inchikey: DCTVMVBKWMOBEQ-WILRFSIMSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(11S,15R)-12,13-seco-12,14-dioxo-8S-hydroxy-5Z,9E-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-7-11-19(16(2)22)17(15-21)13-14-18(23)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18+,19+/m1/s1
inchikey: DCTVMVBKWMOBEQ-JDYUQSAGSA-N
monoisotopicmass: 3.52224976E2
label: 8-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8S,12R)-9,10-seco-9,11-dioxo-5R-hydroxy-6E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-11-19(16(2)22)17(15-21)13-14-18(23)10-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18-,19+/m1/s1
inchikey: HFMAGYDCADKGBI-GJXUSZJUSA-N
monoisotopicmass: 3.52224976E2
label: 5-epi-5-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8R,12S)-9,10-seco-9,11-dioxo-5S-hydroxy-6E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-11-19(16(2)22)17(15-21)13-14-18(23)10-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18-,19+/m0/s1
inchikey: HFMAGYDCADKGBI-FHEBZHCZSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-epi-5-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8R,12S)-9,10-seco-9,11-dioxo-5R-hydroxy-6E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-11-19(16(2)22)17(15-21)13-14-18(23)10-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18+,19+/m0/s1
inchikey: HFMAGYDCADKGBI-KFODYRDWSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

(8S,12R)-9,10-seco-9,11-dioxo-5S-hydroxy-6E,14Z-prostadienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-3-4-5-6-7-8-11-19(16(2)22)17(15-21)13-14-18(23)10-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18+,19+/m1/s1
inchikey: HFMAGYDCADKGBI-GQGWQZIRSA-N
monoisotopicmass: 3.52224976E2
label: 5-iso-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10106
subclass of: https://www.lipidmaps.org/rdf/category/10310
abbrev: FA 20:4;O3

9,10-seco-9-carboxy-11,11,15S-trihydroxy-5Z,8(12),13E-prostatrienoic acid 9,11-lactone
type: Class
formula: C20H30O6
inchi: InChI=1S/C20H30O6/c1-3-4-7-10-15(21)13-14-17-16(19(24)26-20(17,2)25)11-8-5-6-9-12-18(22)23/h5,8,13-15,21,25H,3-4,6-7,9-12H2,1-2H3,(H,22,23)/b8-5-,14-13+/t15-,20?/m0/s1
inchikey: RAQOIYLDXSAKSS-DPLATEDBSA-N
monoisotopicmass: 3.66204241E2
label: ox-LGD2
subclass of: https://www.lipidmaps.org/rdf/category/10103
subclass of: https://www.lipidmaps.org/rdf/category/10105
subclass of: https://www.lipidmaps.org/rdf/category/10310
equivalent class: CHEBI_184979
abbrev: FA 20:5;O4

15-isoLG hydroxylactam-ethanolamine
type: Class
formula: C22H35NO6
inchi: InChI=1S/C22H35NO6/c1-3-4-7-10-17(25)13-14-18-19(11-8-5-6-9-12-20(26)27)22(2,29)23(15-16-24)21(18)28/h5,8,13-14,17,24-25,29H,3-4,6-7,9-12,15-16H2,1-2H3,(H,26,27)/b8-5-,14-13+
inchikey: HDLBUPJKNAITHX-FCBYNYORSA-N
monoisotopicmass: 4.09246439E2
subclass of: https://www.lipidmaps.org/rdf/category/10310

8-isoPGF2alpha
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1
inchikey: PXGPLTODNUVGFL-NAPLMKITSA-N
monoisotopicmass: 3.54240626E2
label: 9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_34505
abbrev: FA 20:3;O3

8-iso-PGE1
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17+,19+/m0/s1
inchikey: GMVPRGQOIOIIMI-JCPCGATGSA-N
monoisotopicmass: 3.54240626E2
label: 9-oxo-11R,15S-dihydroxy-13E-prostaenoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_183841
abbrev: FA 20:3;O3

8-iso-PGE2
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19+/m0/s1
inchikey: XEYBRNLFEZDVAW-CLQOMRTCSA-N
monoisotopicmass: 3.52224976E2
label: 9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_131888
abbrev: FA 20:4;O3

8-iso-13,14-dihydro-15-keto-PGF2alpha
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17+,18-,19+/m0/s1
inchikey: VKTIONYPMSCHQI-JPRPWBOBSA-N
monoisotopicmass: 3.54240626E2
label: 9S,11R-dihydroxy-15-oxo-5Z-prostaenoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8-iso-15-keto-PGF2alpha
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,18-,19+/m0/s1
inchikey: LOLJEILMPWPILA-RLXHZABYSA-N
monoisotopicmass: 3.52224976E2
label: 9S,11R-dihydroxy-15-oxo-5Z,13E-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_175523
abbrev: FA 20:4;O3

8-iso-PGF2beta
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19+/m0/s1
inchikey: PXGPLTODNUVGFL-HMALSPAFSA-N
monoisotopicmass: 3.54240626E2
label: 9R,11R,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8-iso-PGF3alpha
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-19,21-23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1
inchikey: SAKGBZWJAIABSY-PJCXKLBTSA-N
monoisotopicmass: 3.52224976E2
label: 9S,11R,15S-trihydroxy-5Z,13E,17Z-prostatrienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_157746
abbrev: FA 20:4;O3

8-iso-PGA1
type: Class
formula: C20H32O4
inchi: InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18-/m0/s1
inchikey: BGKHCLZFGPIKKU-DRSVPBQLSA-N
monoisotopicmass: 3.36230061E2
label: 9-oxo-15S-hydroxy-10Z,13E-prostadienoic acid-cyclo[8S,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_190149
abbrev: FA 20:4;O2

8-iso-15-keto-PGE2
type: Class
formula: C20H30O5
inchi: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,19+/m0/s1
inchikey: YRTJDWROBKPZNV-RSNVZYGJSA-N
monoisotopicmass: 3.50209326E2
label: 9,15-dioxo-11R-hydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_172574
abbrev: FA 20:5;O3

2,3-Dinor-8-iso-PGF2alpha
type: Class
formula: C18H30O5
inchi: InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14-,15+,16-,17+/m0/s1
inchikey: IDKLJIUIJUVJNR-JSEKUSAISA-N
monoisotopicmass: 3.26209326E2
label: 9S,11R,15S-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_34230
abbrev: FA 18:3;O3

(+/-) 5-iPF2alpha-VI
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15?,16-,17+,18-,19+/m1/s1
inchikey: RZCPXIZGLPAGEV-SUHLLOIRSA-N
monoisotopicmass: 3.54240626E2
label: 5,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_140933
abbrev: FA 20:3;O3

(+/-) 5-iPF2alpha-VI-(d11)
type: Class
formula: C20H23D11O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15?,16-,17+,18-,19+/m1/s1/i1D3,2D2,3D2,4D2,5D2
inchikey: RZCPXIZGLPAGEV-AOORLBIGSA-N
monoisotopicmass: 3.6530967E2
label: 5,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12R]-(d11)
subclass of: https://www.lipidmaps.org/rdf/category/10311

8-iso-PGF2alpha III-EA
type: Class
formula: C22H39NO5
inchi: InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18-,19+,20-,21+/m0/s1
inchikey: XCVCLIRZZCGEMU-JJPTUHNDSA-N
monoisotopicmass: 3.97282824E2
label: N-([8S,12R]9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl)-ethanolamine
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_187201

8R,12R,14S-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11S,15R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19-/m1/s1
inchikey: MZYZWZXTHYCVHQ-BWEMOPLBSA-N
monoisotopicmass: 3.54240626E2
label: ent-8-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19-/m0/s1
inchikey: MZYZWZXTHYCVHQ-DCCGFWISSA-N
monoisotopicmass: 3.54240626E2
label: 8S,12S,14R-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11R,15S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8-epi-8-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18-,19+/m1/s1
inchikey: MZYZWZXTHYCVHQ-KLCPXQDDSA-N
monoisotopicmass: 3.54240626E2
label: 8R,12S,14R-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11R,15S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8S,12R,14S-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11S,15R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18-,19+/m0/s1
inchikey: MZYZWZXTHYCVHQ-LBHGIJFJSA-N
monoisotopicmass: 3.54240626E2
label: ent-8-epi-8-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8S,12R,14S-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11R,15S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1
inchikey: MZYZWZXTHYCVHQ-NAPLMKITSA-N
monoisotopicmass: 3.54240626E2
label: ent-8-epi-8-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8R,12R,14S-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11R,15S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+,19-/m1/s1
inchikey: MZYZWZXTHYCVHQ-PGWUFSIFSA-N
monoisotopicmass: 3.54240626E2
label: ent-8-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8-epi-8-F2t-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-,19+/m1/s1
inchikey: MZYZWZXTHYCVHQ-VCKDCIDJSA-N
monoisotopicmass: 3.54240626E2
label: 8R,12S,14R-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11S,15R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8-F2t-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+,19-/m0/s1
inchikey: MZYZWZXTHYCVHQ-XNTKLVSTSA-N
monoisotopicmass: 3.54240626E2
label: 8S,12S,14R-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11S,15R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

15-epi-15-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19-/m1/s1
inchikey: PXGPLTODNUVGFL-BWEMOPLBSA-N
monoisotopicmass: 3.54240626E2
label: 9S,11R,15R-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

9R,11S,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19-/m0/s1
inchikey: PXGPLTODNUVGFL-DCCGFWISSA-N
monoisotopicmass: 3.54240626E2
label: ent-15-epi-15-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

9R,11S,15R-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18-,19+/m1/s1
inchikey: PXGPLTODNUVGFL-KLCPXQDDSA-N
monoisotopicmass: 3.54240626E2
label: ent-15-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

15-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18-,19+/m0/s1
inchikey: PXGPLTODNUVGFL-LBHGIJFJSA-N
monoisotopicmass: 3.54240626E2
label: 9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

15-epi-15-F2t-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+,19-/m1/s1
inchikey: PXGPLTODNUVGFL-PGWUFSIFSA-N
monoisotopicmass: 3.54240626E2
label: 9S,11R,15R-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_165290
abbrev: FA 20:3;O3

9R,11S,15R-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-,19+/m1/s1
inchikey: PXGPLTODNUVGFL-VCKDCIDJSA-N
monoisotopicmass: 3.54240626E2
label: ent-15-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

9R,11S,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+,19-/m0/s1
inchikey: PXGPLTODNUVGFL-XNTKLVSTSA-N
monoisotopicmass: 3.54240626E2
label: ent-15-epi-15-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5-epi-5-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18-,19+/m1/s1
inchikey: RZCPXIZGLPAGEV-DDEBSAQFSA-N
monoisotopicmass: 3.54240626E2
label: 5R,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8R,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5S,9R,11S-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8R,12S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18-,19+/m0/s1
inchikey: RZCPXIZGLPAGEV-GSMXCAORSA-N
monoisotopicmass: 3.54240626E2
label: ent-5-epi-5-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_176368
abbrev: FA 20:3;O3

5-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18+,19-/m0/s1
inchikey: RZCPXIZGLPAGEV-HIGBTYBHSA-N
monoisotopicmass: 3.54240626E2
label: 5S,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8R,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5R,9R,11S-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18+,19-/m1/s1
inchikey: RZCPXIZGLPAGEV-LODUWEDZSA-N
monoisotopicmass: 3.54240626E2
label: ent-5-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5R,9R,11S-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8R,12S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18+,19-/m1/s1
inchikey: RZCPXIZGLPAGEV-MSKXHIKFSA-N
monoisotopicmass: 3.54240626E2
label: ent-5-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5-epi-5-F2t-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18-,19+/m1/s1
inchikey: RZCPXIZGLPAGEV-NVWAOVOPSA-N
monoisotopicmass: 3.54240626E2
label: 5R,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5-F2t-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18+,19-/m0/s1
inchikey: RZCPXIZGLPAGEV-VOMLHDSDSA-N
monoisotopicmass: 3.54240626E2
label: 5S,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5S,9R,11S-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18-,19+/m0/s1
inchikey: RZCPXIZGLPAGEV-XFYWFNBGSA-N
monoisotopicmass: 3.54240626E2
label: ent-5-epi-5-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

6R,8S,12R-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5S,9R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18-,19+/m1/s1
inchikey: ZOCFIYOANZRNDX-DDEBSAQFSA-N
monoisotopicmass: 3.54240626E2
label: ent-12-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

12-F2t-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18-,19+/m0/s1
inchikey: ZOCFIYOANZRNDX-GSMXCAORSA-N
monoisotopicmass: 3.54240626E2
label: 6S,8R,12S-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5S,9R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

6R,8S,12S-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5S,9R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18+,19-/m0/s1
inchikey: ZOCFIYOANZRNDX-HIGBTYBHSA-N
monoisotopicmass: 3.54240626E2
label: ent-12-epi-12-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

12-epi-12-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18+,19-/m1/s1
inchikey: ZOCFIYOANZRNDX-LODUWEDZSA-N
monoisotopicmass: 3.54240626E2
label: 6S,8R,12R-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5R,9S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

12-epi-12-F2t-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18+,19-/m1/s1
inchikey: ZOCFIYOANZRNDX-MSKXHIKFSA-N
monoisotopicmass: 3.54240626E2
label: 6S,8R,12R-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5S,9R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

6R,8S,12R-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5R,9S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18-,19+/m1/s1
inchikey: ZOCFIYOANZRNDX-NVWAOVOPSA-N
monoisotopicmass: 3.54240626E2
label: ent-12-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

6R,8S,12S-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5R,9S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18+,19-/m0/s1
inchikey: ZOCFIYOANZRNDX-VOMLHDSDSA-N
monoisotopicmass: 3.54240626E2
label: ent-12-epi-12-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

12-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18-,19+/m0/s1
inchikey: ZOCFIYOANZRNDX-XFYWFNBGSA-N
monoisotopicmass: 3.54240626E2
label: 6S,8R,12S-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5R,9S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8R,12R-dihydroxy-14-oxo-5Z,9E-prostadienoic acid-cyclo[11S,15R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19-/m1/s1
inchikey: QJADFBZNTPJMDY-KYTOGMRYSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

8-D2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19-/m0/s1
inchikey: QJADFBZNTPJMDY-MEWMNREUSA-N
monoisotopicmass: 3.52224976E2
label: 8S,12S-dihydroxy-14-oxo-5Z,9E-prostadienoic acid-cyclo[11R,15S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

8-epi-8-D2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,19+/m1/s1
inchikey: QJADFBZNTPJMDY-PIDKQCLESA-N
monoisotopicmass: 3.52224976E2
label: 8R,12S-dihydroxy-14-oxo-5Z,9E-prostadienoic acid-cyclo[11R,15S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

8S,12R-dihydroxy-14-oxo-5Z,9E-prostadienoic acid-cyclo[11S,15R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,19+/m0/s1
inchikey: QJADFBZNTPJMDY-AQVUVVIDSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-epi-8-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

8S,12R-dihydroxy-14-oxo-5Z,9E-prostadienoic acid-cyclo[11R,15S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19+/m0/s1
inchikey: QJADFBZNTPJMDY-CLQOMRTCSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-epi-8-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

8R,12R-dihydroxy-14-oxo-5Z,9E-prostadienoic acid-cyclo[11R,15S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,19-/m1/s1
inchikey: QJADFBZNTPJMDY-QIQFKOGQSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

8-epi-8-D2t-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19+/m1/s1
inchikey: QJADFBZNTPJMDY-QLSSOSBMSA-N
monoisotopicmass: 3.52224976E2
label: 8R,12S-dihydroxy-14-oxo-5Z,9E-prostadienoic acid-cyclo[11S,15R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

8-D2t-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,19-/m0/s1
inchikey: QJADFBZNTPJMDY-UWFJTOKYSA-N
monoisotopicmass: 3.52224976E2
label: 8S,12S-dihydroxy-14-oxo-5Z,9E-prostadienoic acid-cyclo[11S,15R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

8R-hydroxy-14-oxo-5Z,9E,12-prostatrienoic acid-cyclo[11S,15R]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-18-16(13-15-19(18)22)12-14-17(21)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18-/m1/s1
inchikey: HZNAHHXOHNFXDH-INZCJKSWSA-N
monoisotopicmass: 3.34214411E2
label: ent-8-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

8-J2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-18-16(13-15-19(18)22)12-14-17(21)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18-/m0/s1
inchikey: HZNAHHXOHNFXDH-UKUWKSPLSA-N
monoisotopicmass: 3.34214411E2
label: 8S-hydroxy-14-oxo-5Z,9E,12-prostatrienoic acid-cyclo[11R,15S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_193171
abbrev: FA 20:5;O2

8-epi-8-J2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-18-16(13-15-19(18)22)12-14-17(21)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17+,18-/m0/s1
inchikey: HZNAHHXOHNFXDH-HWZGDPEYSA-N
monoisotopicmass: 3.34214411E2
label: 8R-hydroxy-14-oxo-5Z,9E,12-prostatrienoic acid-cyclo[11R,15S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

8S-hydroxy-14-oxo-5Z,9E,12-prostatrienoic acid-cyclo[11S,15R]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-18-16(13-15-19(18)22)12-14-17(21)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17+,18-/m1/s1
inchikey: HZNAHHXOHNFXDH-KVUCQPOXSA-N
monoisotopicmass: 3.34214411E2
label: ent-8-epi-8-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

14-oxo-5Z,8E,10E,12-prostatetraenoic acid-cyclo[11,15S]
type: Class
formula: C20H28O3
inchi: InChI=1S/C20H28O3/c1-2-3-9-13-18-17(15-16-19(18)21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,12,15-16,18H,2-3,5,8-9,11,13-14H2,1H3,(H,22,23)/b6-4-,10-7+,17-12-/t18-/m0/s1
inchikey: JTSWNPYSJJAOQQ-UILHMMCHSA-N
monoisotopicmass: 3.16203846E2
label: 8-deoxy-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_192921
abbrev: FA 20:6;O

14-oxo-5Z,8E,10E,12-prostatetraenoic acid-cyclo[11,15R]
type: Class
formula: C20H28O3
inchi: InChI=1S/C20H28O3/c1-2-3-9-13-18-17(15-16-19(18)21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,12,15-16,18H,2-3,5,8-9,11,13-14H2,1H3,(H,22,23)/b6-4-,10-7+,17-12-/t18-/m1/s1
inchikey: JTSWNPYSJJAOQQ-BEJNIAJHSA-N
monoisotopicmass: 3.16203846E2
label: ent-8-deoxy-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:6;O

5R,9R-dihydroxy-11-oxo-6E,14Z-prostadienoic acid-cyclo[8S,12R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,19-/m1/s1
inchikey: RIBVJRIPUIBKFY-AKZHIYLFSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

5-D2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,19-/m0/s1
inchikey: RIBVJRIPUIBKFY-AGPMVNMISA-N
monoisotopicmass: 3.52224976E2
label: 5S,9S-dihydroxy-11-oxo-6E,14Z-prostadienoic acid-cyclo[8R,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

5-epi-5-D2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,19+/m1/s1
inchikey: RIBVJRIPUIBKFY-MOEAWNEWSA-N
monoisotopicmass: 3.52224976E2
label: 5R,9S-dihydroxy-11-oxo-6E,14Z-prostadienoic acid-cyclo[8R,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

5S,9R-dihydroxy-11-oxo-6E,14Z-prostadienoic acid-cyclo[8S,12R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,19+/m0/s1
inchikey: RIBVJRIPUIBKFY-WUEBRPHUSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-epi-5-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

5S,9R-dihydroxy-11-oxo-6E,14Z-prostadienoic acid-cyclo[8R,12S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,19+/m0/s1
inchikey: RIBVJRIPUIBKFY-SGWGDRMNSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-epi-5-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

5-epi-5-D2t-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,19+/m1/s1
inchikey: RIBVJRIPUIBKFY-VWDJQGTESA-N
monoisotopicmass: 3.52224976E2
label: 5R,9S-dihydroxy-11-oxo-6E,14Z-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

5-D2t-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,19-/m0/s1
inchikey: RIBVJRIPUIBKFY-RWRNJALOSA-N
monoisotopicmass: 3.52224976E2
label: 5S,9S-dihydroxy-11-oxo-6E,14Z-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

5R-hydroxy-11-oxo-6E,14Z,12-prostatrienoic acid-cyclo[8S,12R]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-10-18-16(13-15-19(18)22)12-14-17(21)9-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-12+/t16-,17-,18-/m1/s1
inchikey: CDKUBBLBBNPSIE-WPRMYMKKSA-N
monoisotopicmass: 3.34214411E2
label: ent-5-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

5-J2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-10-18-16(13-15-19(18)22)12-14-17(21)9-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-12+/t16-,17-,18-/m0/s1
inchikey: CDKUBBLBBNPSIE-IZRQBXBXSA-N
monoisotopicmass: 3.34214411E2
label: 5S-hydroxy-11-oxo-6E,14Z,12-prostatrienoic acid-cyclo[8R,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

5-epi-5-J2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-10-18-16(13-15-19(18)22)12-14-17(21)9-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-12+/t16-,17+,18-/m0/s1
inchikey: CDKUBBLBBNPSIE-NFASSDLVSA-N
monoisotopicmass: 3.34214411E2
label: 5R-hydroxy-11-oxo-6E,14Z,12-prostatrienoic acid-cyclo[8R,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

5S-hydroxy-11-oxo-6E,14Z,12-prostatrienoic acid-cyclo[8S,12R]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-10-18-16(13-15-19(18)22)12-14-17(21)9-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-12+/t16-,17+,18-/m1/s1
inchikey: CDKUBBLBBNPSIE-SEIRXARCSA-N
monoisotopicmass: 3.34214411E2
label: ent-5-epi-5-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

11-oxo-5E,7E,9,14Z-prostatetraenoic acid-cyclo[8,12S]
type: Class
formula: C20H28O3
inchi: InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,12,15-16,18H,2-5,8,11,13-14H2,1H3,(H,22,23)/b9-7+,10-6-,17-12-/t18-/m0/s1
inchikey: YSKQXUAGHQCEPJ-PRBCLIIHSA-N
monoisotopicmass: 3.16203846E2
label: 5-deoxy-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:6;O

11-oxo-5E,7E,9,14Z-prostatetraenoic acid-cyclo[8,12R]
type: Class
formula: C20H28O3
inchi: InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,12,15-16,18H,2-5,8,11,13-14H2,1H3,(H,22,23)/b9-7+,10-6-,17-12-/t18-/m1/s1
inchikey: YSKQXUAGHQCEPJ-UDELYLQQSA-N
monoisotopicmass: 3.16203846E2
label: ent-5-deoxy-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:6;O

5R,9R-dihydroxy-11-oxo-6E,14Z-prostadienoic acid-cyclo[8R,12S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,19-/m1/s1
inchikey: RIBVJRIPUIBKFY-XOEICTMYSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

6R,12R-dihydroxy-8-oxo-10E,14Z-prostadienoic acid-cyclo[5S,9R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18-/m1/s1
inchikey: VRHOOVVYFPUEHK-RFVHISQKSA-N
monoisotopicmass: 3.52224976E2
label: ent-12-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

12-D2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18-/m0/s1
inchikey: VRHOOVVYFPUEHK-NFVHWJBISA-N
monoisotopicmass: 3.52224976E2
label: 6S,12S-dihydroxy-8-oxo-10E,14Z-prostadienoic acid-cyclo[5R,9S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

12-epi-12-D2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18+/m1/s1
inchikey: VRHOOVVYFPUEHK-BXGMEBJPSA-N
monoisotopicmass: 3.52224976E2
label: 6S,12R-dihydroxy-8-oxo-10E,14Z-prostadienoic acid-cyclo[5R,9S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

6R,12S-dihydroxy-8-oxo-10E,14Z-prostadienoic acid-cyclo[5S,9R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18+/m0/s1
inchikey: VRHOOVVYFPUEHK-KHDCHMTPSA-N
monoisotopicmass: 3.52224976E2
label: ent-12-epi-12-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

6R,12S-dihydroxy-8-oxo-10E,14Z-prostadienoic acid-cyclo[5R,9S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18+/m0/s1
inchikey: VRHOOVVYFPUEHK-QWDSWNQISA-N
monoisotopicmass: 3.52224976E2
label: ent-12-epi-12-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

6R,12R-dihydroxy-8-oxo-10E,14Z-prostadienoic acid-cyclo[5R,9S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18-/m1/s1
inchikey: VRHOOVVYFPUEHK-KFVDZBPCSA-N
monoisotopicmass: 3.52224976E2
label: ent-12-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

12-epi-12-D2t-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18+/m1/s1
inchikey: VRHOOVVYFPUEHK-NGVFYKCESA-N
monoisotopicmass: 3.52224976E2
label: 6S,12R-dihydroxy-8-oxo-10E,14Z-prostadienoic acid-cyclo[5S,9R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

12-D2t-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18-/m0/s1
inchikey: VRHOOVVYFPUEHK-BETIJRBISA-N
monoisotopicmass: 3.52224976E2
label: 6S,12S-dihydroxy-8-oxo-10E,14Z-prostadienoic acid-cyclo[5S,9R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

12R-hydroxy-8-oxo-6,10E,14Z-prostatrienoic acid-cyclo[5R,9R]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-10-17(21)13-14-18-16(12-15-19(18)22)9-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17-,18-/m1/s1
inchikey: QSORPTYLBPEZGL-CQVQEQMBSA-N
monoisotopicmass: 3.34214411E2
label: ent-12-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

12-J2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-10-17(21)13-14-18-16(12-15-19(18)22)9-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17-,18-/m0/s1
inchikey: QSORPTYLBPEZGL-ISASVXBDSA-N
monoisotopicmass: 3.34214411E2
label: 12S-hydroxy-8-oxo-6,10E,14Z-prostatrienoic acid-cyclo[5S,9S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

12-epi-12-J2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-10-17(21)13-14-18-16(12-15-19(18)22)9-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17+,18-/m0/s1
inchikey: QSORPTYLBPEZGL-IVSINRFPSA-N
monoisotopicmass: 3.34214411E2
label: 12R-hydroxy-8-oxo-6,10E,14Z-prostatrienoic acid-cyclo[5S,9S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

12S-hydroxy-8-oxo-6,10E,14Z-prostatrienoic acid-cyclo[5R,9R]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-10-17(21)13-14-18-16(12-15-19(18)22)9-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17+,18-/m1/s1
inchikey: QSORPTYLBPEZGL-LFSUCQDASA-N
monoisotopicmass: 3.34214411E2
label: ent-12-epi-12-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

12-deoxy-J2-IsoP
type: Class
formula: C20H28O3
inchi: InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-13-18-17(15-16-19(18)21)12-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b7-6-,10-9+,18-13+/t17-/m0/s1
inchikey: ZLXLLWHVBPUBML-MNOHRBOLSA-N
monoisotopicmass: 3.16203846E2
label: 8-oxo-6,9E,11E,14Z-prostatetraenoic acid-cyclo[5S,9]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_192961
abbrev: FA 20:6;O

8-oxo-6,9E,11E,14Z-prostatetraenoic acid-cyclo[5R,9]
type: Class
formula: C20H28O3
inchi: InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-13-18-17(15-16-19(18)21)12-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b7-6-,10-9+,18-13+/t17-/m1/s1
inchikey: ZLXLLWHVBPUBML-SAALSYIASA-N
monoisotopicmass: 3.16203846E2
label: ent-12-deoxy-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:6;O

9R,15R-dihydroxy-11-oxo-5Z,13E-prostadienoic acid-cyclo[8S,12R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18-/m1/s1
inchikey: BHMBVRSPMRCCGG-KIUOMDKCSA-N
monoisotopicmass: 3.52224976E2
label: ent-15-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

15-D2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18-/m0/s1
inchikey: BHMBVRSPMRCCGG-PKYPQZGTSA-N
monoisotopicmass: 3.52224976E2
label: 9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid-cyclo[8R,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

15-epi-15-D2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+/m1/s1
inchikey: BHMBVRSPMRCCGG-DEVWMUTQSA-N
monoisotopicmass: 3.52224976E2
label: 9S,15R-dihydroxy-11-oxo-5Z,13E-prostadienoic acid-cyclo[8R,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

9R,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid-cyclo[8S,12R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+/m0/s1
inchikey: BHMBVRSPMRCCGG-ZDDFUZLGSA-N
monoisotopicmass: 3.52224976E2
label: ent-15-epi-15-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

9R,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid-cyclo[8R,12S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+/m0/s1
inchikey: BHMBVRSPMRCCGG-BZRWIFSCSA-N
monoisotopicmass: 3.52224976E2
label: ent-15-epi-15-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

9R,15R-dihydroxy-11-oxo-5Z,13E-prostadienoic acid-cyclo[8R,12S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-/m1/s1
inchikey: BHMBVRSPMRCCGG-SUKOLCOCSA-N
monoisotopicmass: 3.52224976E2
label: ent-15-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

15-epi-15-D2t-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+/m1/s1
inchikey: BHMBVRSPMRCCGG-GPOABSTCSA-N
monoisotopicmass: 3.52224976E2
label: 9S,15R-dihydroxy-11-oxo-5Z,13E-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

15-D2t-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-/m0/s1
inchikey: BHMBVRSPMRCCGG-FEPZOTTPSA-N
monoisotopicmass: 3.52224976E2
label: 9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

15R-hydroxy-11-oxo-5Z,9,13E-prostatrienoic acid-cyclo[8R,12R]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18-/m1/s1
inchikey: UQOQENZZLBSFKO-ZJOCCBHUSA-N
monoisotopicmass: 3.34214411E2
label: ent-15-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

15-J2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18-/m0/s1
inchikey: UQOQENZZLBSFKO-YQGAQKBJSA-N
monoisotopicmass: 3.34214411E2
label: 15S-hydroxy-11-oxo-5Z,9,13E-prostatrienoic acid-cyclo[8S,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

15-epi-15-J2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17+,18-/m0/s1
inchikey: UQOQENZZLBSFKO-KRKSYEERSA-N
monoisotopicmass: 3.34214411E2
label: 15R-hydroxy-11-oxo-5Z,9,13E-prostatrienoic acid-cyclo[8S,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

15S-hydroxy-11-oxo-5Z,9,13E-prostatrienoic acid-cyclo[8R,12R]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17+,18-/m1/s1
inchikey: UQOQENZZLBSFKO-CMZRNJOUSA-N
monoisotopicmass: 3.34214411E2
label: ent-15-epi-15-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

11-oxo-5Z,9,12E,14E-prostatetraenoic acid-cyclo[8R,12]
type: Class
formula: C20H28O3
inchi: InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m1/s1
inchikey: VHRUMKCAEVRUBK-UPNCTVPKSA-N
monoisotopicmass: 3.16203846E2
label: ent-15-deoxy-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:6;O

9-oxo-11S,15R-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m1/s1
inchikey: XEYBRNLFEZDVAW-OBUVHCMGSA-N
monoisotopicmass: 3.52224976E2
label: ent-PGE2
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_190308
abbrev: FA 20:4;O3

9R,15R-dihydroxy-11-oxo-5Z,13E-prostadienoic acid-cyclo[8S,12S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m1/s1
inchikey: BHMBVRSPMRCCGG-SLQLHLDPSA-N
monoisotopicmass: 3.52224976E2
label: ent-PGD2
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

9R,11S,15R-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m1/s1
inchikey: PXGPLTODNUVGFL-FCINMJCXSA-N
monoisotopicmass: 3.54240626E2
label: ent-PGF2alpha
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_190319
abbrev: FA 20:3;O3

9R,11S,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18+,19-/m0/s1
inchikey: PXGPLTODNUVGFL-GTXDYMSZSA-N
monoisotopicmass: 3.54240626E2
label: ent-8,15-diepi-15-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8-epi-15-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18-,19+/m0/s1
inchikey: PXGPLTODNUVGFL-VLINGGMNSA-N
monoisotopicmass: 3.54240626E2
label: 9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

9R,11S,15R-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18-,19+/m1/s1
inchikey: PXGPLTODNUVGFL-LFQRMHLBSA-N
monoisotopicmass: 3.54240626E2
label: ent-8-epi-15-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8,15-diepi-15-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19-/m1/s1
inchikey: PXGPLTODNUVGFL-HOJKLPIESA-N
monoisotopicmass: 3.54240626E2
label: 9S,11R,15R-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

9R,11S,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19-/m0/s1
inchikey: PXGPLTODNUVGFL-WTKFZEAQSA-N
monoisotopicmass: 3.54240626E2
label: ent-8,15-diepi-15-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid-cyclo[8R,12S]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17+,18+/m1/s1
inchikey: UQOQENZZLBSFKO-FZTCNJBPSA-N
monoisotopicmass: 3.34214411E2
label: 8-epi-15-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

9-oxo-11S,15R-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19+/m1/s1
inchikey: XEYBRNLFEZDVAW-SODXPYFYSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-epi-15-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

9-oxo-11S,15R-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19+/m1/s1
inchikey: XEYBRNLFEZDVAW-QLSSOSBMSA-N
monoisotopicmass: 3.52224976E2
label: ent-15-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

9-oxo-11S,15R-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,19+/m1/s1
inchikey: XEYBRNLFEZDVAW-PIDKQCLESA-N
monoisotopicmass: 3.52224976E2
label: ent-15-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

9-oxo-11S,15S-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,19-/m0/s1
inchikey: XEYBRNLFEZDVAW-UWFJTOKYSA-N
monoisotopicmass: 3.52224976E2
label: ent-15-epi-15-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

9-oxo-11S,15S-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19-/m0/s1
inchikey: XEYBRNLFEZDVAW-MEWMNREUSA-N
monoisotopicmass: 3.52224976E2
label: ent-15-epi-15-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

9-oxo-11S,15S-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19-/m0/s1
inchikey: XEYBRNLFEZDVAW-GRIBJOHYSA-N
monoisotopicmass: 3.52224976E2
label: ent-8,15-diepi-15-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

15-epi-15-E2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19-/m1/s1
inchikey: XEYBRNLFEZDVAW-KYTOGMRYSA-N
monoisotopicmass: 3.52224976E2
label: 9-oxo-11R,15R-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

15-epi-15-E2t-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,19-/m1/s1
inchikey: XEYBRNLFEZDVAW-QIQFKOGQSA-N
monoisotopicmass: 3.52224976E2
label: 9-oxo-11R,15R-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

15-E2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,19+/m0/s1
inchikey: XEYBRNLFEZDVAW-AQVUVVIDSA-N
monoisotopicmass: 3.52224976E2
label: 9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

8-epi-15-E2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19+/m0/s1
inchikey: XEYBRNLFEZDVAW-BSBCLDFQSA-N
monoisotopicmass: 3.52224976E2
label: 9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

11-oxo-9R,15R-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18-/m1/s1
inchikey: BHMBVRSPMRCCGG-OBHBYKKGSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-epi-15-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

11-oxo-9R,15S-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12R]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+/m0/s1
inchikey: BHMBVRSPMRCCGG-LJNSFSJGSA-N
monoisotopicmass: 3.52224976E2
label: ent-8,15-diepi-15-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

11-oxo-9R,15S-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1
inchikey: BHMBVRSPMRCCGG-UHHGALCXSA-N
monoisotopicmass: 3.52224976E2
label: ent-8,15-diepi-15-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

11-oxo-9S,15R-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+/m1/s1
inchikey: BHMBVRSPMRCCGG-CMLJBQNQSA-N
monoisotopicmass: 3.52224976E2
label: 8,15-diepi-15-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

11-oxo-9S,15S-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12S]
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18-/m0/s1
inchikey: BHMBVRSPMRCCGG-SAIQCDIPSA-N
monoisotopicmass: 3.52224976E2
label: 8-epi-15-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

11-oxo-15R-hydroxy-5Z,9,13E-prostatrienoic acid-cyclo[8S,12R]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17+,18+/m0/s1
inchikey: UQOQENZZLBSFKO-ZGCAFGAXSA-N
monoisotopicmass: 3.34214411E2
label: 8,15-diepi-15-J2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

11-oxo-15R-hydroxy-5Z,9,13E-prostatrienoic acid-cyclo[8R,12S]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m1/s1
inchikey: UQOQENZZLBSFKO-HFVATSGYSA-N
monoisotopicmass: 3.34214411E2
label: 8,15-diepi-15-J2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

9-oxo-15R-hydroxy-5Z,10,13E-prostatrienoic acid-cyclo[8S,12S]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17+,18-/m0/s1
inchikey: MYHXHCUNDDAEOZ-HWZGDPEYSA-N
monoisotopicmass: 3.34214411E2
label: ent-15-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

15-A2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17+,18-/m1/s1
inchikey: MYHXHCUNDDAEOZ-KVUCQPOXSA-N
monoisotopicmass: 3.34214411E2
label: 9-oxo-15S-hydroxy-5Z,10,13E-prostatrienoic acid-cyclo[8R,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

15-epi-15-A2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18-/m1/s1
inchikey: MYHXHCUNDDAEOZ-INZCJKSWSA-N
monoisotopicmass: 3.34214411E2
label: 9-oxo-15R-hydroxy-5Z,10,13E-prostatrienoic acid-cyclo[8R,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

9-oxo-15S-hydroxy-5Z,10,13E-prostatrienoic acid-cyclo[8S,12S]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18-/m0/s1
inchikey: MYHXHCUNDDAEOZ-UKUWKSPLSA-N
monoisotopicmass: 3.34214411E2
label: ent-15-epi-15-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_194257
abbrev: FA 20:5;O2

8-epi-15-A2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17+,18+/m1/s1
inchikey: MYHXHCUNDDAEOZ-QHZUPQCPSA-N
monoisotopicmass: 3.34214411E2
label: 9-oxo-15S-hydroxy-5Z,10,13E-prostatrienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

8,15-diepi-15-A2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m1/s1
inchikey: MYHXHCUNDDAEOZ-OGQNNXQTSA-N
monoisotopicmass: 3.34214411E2
label: 9-oxo-15R-hydroxy-5Z,10,13E-prostatrienoic acid-cyclo[8S,12R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

5R,9R,11S-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8R,12R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18+,19-/m1/s1
inchikey: RZCPXIZGLPAGEV-OVKYPMIZSA-N
monoisotopicmass: 3.54240626E2
label: ent-8-epi-5-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5R,9R,11S-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18+,19-/m1/s1
inchikey: RZCPXIZGLPAGEV-OSKTZCGQSA-N
monoisotopicmass: 3.54240626E2
label: ent-8-epi-5-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5S,9R,11S-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8R,12R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: RZCPXIZGLPAGEV-NZPNELMESA-N
monoisotopicmass: 3.54240626E2
label: ent-8,5-diepi-5-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5S,9R,11S-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18-,19+/m0/s1
inchikey: RZCPXIZGLPAGEV-XPTHDSNDSA-N
monoisotopicmass: 3.54240626E2
label: ent-8,5-diepi-5-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5R,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8R,12R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18-,19+/m1/s1
inchikey: RZCPXIZGLPAGEV-YKPSUEFWSA-N
monoisotopicmass: 3.54240626E2
label: 8,5-diepi-5-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5R,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18-,19+/m1/s1
inchikey: RZCPXIZGLPAGEV-PDARELIESA-N
monoisotopicmass: 3.54240626E2
label: 8,5-diepi-5-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5S,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8R,12R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18+,19-/m0/s1
inchikey: RZCPXIZGLPAGEV-YMQSTNHTSA-N
monoisotopicmass: 3.54240626E2
label: 8-epi-5-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5S,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18+,19-/m0/s1
inchikey: RZCPXIZGLPAGEV-GRZFXSKDSA-N
monoisotopicmass: 3.54240626E2
label: 8-epi-5-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8R,12R,14S-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11R,15R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18+,19-/m1/s1
inchikey: MZYZWZXTHYCVHQ-CKXCCYAOSA-N
monoisotopicmass: 3.54240626E2
label: ent-11-epi-8-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8R,12R,14S-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11S,15S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19-/m1/s1
inchikey: MZYZWZXTHYCVHQ-HOJKLPIESA-N
monoisotopicmass: 3.54240626E2
label: ent-11-epi-8-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_184479
abbrev: FA 20:3;O3

8S,12R,14S-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11R,15R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: MZYZWZXTHYCVHQ-YNNPMVKQSA-N
monoisotopicmass: 3.54240626E2
label: ent-8,11-diepi-8-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8S,12R,14S-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11S,15S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18-,19+/m0/s1
inchikey: MZYZWZXTHYCVHQ-VLINGGMNSA-N
monoisotopicmass: 3.54240626E2
label: ent-8,11-diepi-8-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8,11-diepi-8-F2t-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18-,19+/m1/s1
inchikey: MZYZWZXTHYCVHQ-LFQRMHLBSA-N
monoisotopicmass: 3.54240626E2
label: 8R,12S,14R-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11R,15R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

8,11-diepi-8-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m1/s1
inchikey: MZYZWZXTHYCVHQ-FCINMJCXSA-N
monoisotopicmass: 3.54240626E2
label: 8R,12S,14R-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11S,15S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

11-epi-8-F2t-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19-/m0/s1
inchikey: MZYZWZXTHYCVHQ-WTKFZEAQSA-N
monoisotopicmass: 3.54240626E2
label: 8S,12S,14R-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11R,15R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

11-epi-8-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18+,19-/m0/s1
inchikey: MZYZWZXTHYCVHQ-GTXDYMSZSA-N
monoisotopicmass: 3.54240626E2
label: 8S,12S,14R-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11S,15S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

6R,8S,12R-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5R,9R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18-,19+/m1/s1
inchikey: ZOCFIYOANZRNDX-YKPSUEFWSA-N
monoisotopicmass: 3.54240626E2
label: ent-5-epi-12-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

6R,8S,12R-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5S,9S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18-,19+/m1/s1
inchikey: ZOCFIYOANZRNDX-PDARELIESA-N
monoisotopicmass: 3.54240626E2
label: ent-5-epi-12-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

6R,8S,12S-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5R,9R]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18+,19-/m0/s1
inchikey: ZOCFIYOANZRNDX-YMQSTNHTSA-N
monoisotopicmass: 3.54240626E2
label: ent-5,12-diepi-12-F2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

6R,8S,12S-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5S,9S]
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18+,19-/m0/s1
inchikey: ZOCFIYOANZRNDX-GRZFXSKDSA-N
monoisotopicmass: 3.54240626E2
label: ent-5,12-diepi-12-F2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5,12-diepi-12-F2t-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18+,19-/m1/s1
inchikey: ZOCFIYOANZRNDX-OVKYPMIZSA-N
monoisotopicmass: 3.54240626E2
label: 6S,8R,12R-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5R,9R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5,12-diepi-12-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18+,19-/m1/s1
inchikey: ZOCFIYOANZRNDX-OSKTZCGQSA-N
monoisotopicmass: 3.54240626E2
label: 6S,8R,12R-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5S,9S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5-epi-12-F2t-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18-,19+/m0/s1
inchikey: ZOCFIYOANZRNDX-NZPNELMESA-N
monoisotopicmass: 3.54240626E2
label: 6S,8R,12S-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5R,9R]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

5-epi-12-F2c-IsoP
type: Class
formula: C20H34O5
inchi: InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18-,19+/m0/s1
inchikey: ZOCFIYOANZRNDX-XPTHDSNDSA-N
monoisotopicmass: 3.54240626E2
label: 6S,8R,12S-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5S,9S]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:3;O3

17-F2-dihomo-IsoP
type: Class
formula: C22H38O5
inchi: InChI=1S/C22H38O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+
inchikey: ZCTAOAWRUXSOQF-LSEOUJGGSA-N
monoisotopicmass: 3.82271926E2
label: 1a,1b-dihomo-9,11,15-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8,12]
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 22:3;O3

10-F2-dihomo-IsoP
type: Class
formula: C23H40O5
inchi: InChI=1S/C23H40O5/c1-2-3-9-13-19-20(22(26)17-21(19)25)16-15-18(24)12-10-7-5-4-6-8-11-14-23(27)28/h7,10,15-16,18-22,24-26H,2-6,8-9,11-14,17H2,1H3,(H,27,28)/b10-7-,16-15+
inchikey: DTTMKDYOUCSFNN-NTZQAAQGSA-N
monoisotopicmass: 3.96287576E2
label: 1a,1b-dihomo-8,12,14-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11,15]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_168118
abbrev: FA 23:3;O3

14-F2-dihomo-IsoP
type: Class
formula: C22H38O5
inchi: InChI=1S/C22H38O5/c1-2-3-4-5-6-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-7-10-13-22(26)27/h6,8,14-15,17-21,23-25H,2-5,7,9-13,16H2,1H3,(H,26,27)/b8-6-,15-14+
inchikey: GAAQHTDEQARKTH-GNYNHFTISA-N
monoisotopicmass: 3.82271926E2
label: 1a,1b-dihomo-6,8,12-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5,9]
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_177973
abbrev: FA 22:3;O3

1a,1b-dihomo-5,9,11-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8,12]
type: Class
formula: C22H38O5
inchi: InChI=1S/C22H38O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+
inchikey: QILWIJCKQCKOMR-LSEOUJGGSA-N
monoisotopicmass: 3.82271926E2
label: 7-F2-dihomo-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 22:3;O3

(R,E)-5-hydroxy-7-((1R,2S,3R)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18-/m1/s1
inchikey: CGZQBRAFJZQQFI-RFVHISQKSA-N
monoisotopicmass: 3.52224976E2
label: 5-epi-5-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,E)-5-hydroxy-7-((1S,2R,3R)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18-/m1/s1
inchikey: CGZQBRAFJZQQFI-KFVDZBPCSA-N
monoisotopicmass: 3.52224976E2
label: 5-epi-5-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,E)-5-hydroxy-7-((1R,2S,3R)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18+/m0/s1
inchikey: CGZQBRAFJZQQFI-KHDCHMTPSA-N
monoisotopicmass: 3.52224976E2
label: 5-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,E)-5-hydroxy-7-((1S,2R,3R)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18+/m0/s1
inchikey: CGZQBRAFJZQQFI-QWDSWNQISA-N
monoisotopicmass: 3.52224976E2
label: 5-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,E)-5-hydroxy-7-((1S,2S,3R)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18-/m1/s1
inchikey: CGZQBRAFJZQQFI-RCCKLYHBSA-N
monoisotopicmass: 3.52224976E2
label: 8,5-diepi-5-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,E)-5-hydroxy-7-((1R,2R,3R)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18-/m1/s1
inchikey: CGZQBRAFJZQQFI-QWSZIQNKSA-N
monoisotopicmass: 3.52224976E2
label: 8,5-diepi-5-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,E)-5-hydroxy-7-((1S,2S,3R)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18+/m0/s1
inchikey: CGZQBRAFJZQQFI-KILOKERPSA-N
monoisotopicmass: 3.52224976E2
label: 8-epi-5-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,E)-5-hydroxy-7-((1R,2R,3R)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18+/m0/s1
inchikey: CGZQBRAFJZQQFI-WSJHUFHNSA-N
monoisotopicmass: 3.52224976E2
label: 8-epi-5-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,E)-5-hydroxy-7-((1S,2R,3S)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18-/m0/s1
inchikey: CGZQBRAFJZQQFI-NFVHWJBISA-N
monoisotopicmass: 3.52224976E2
label: ent-5-epi-5-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,E)-5-hydroxy-7-((1R,2S,3S)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18-/m0/s1
inchikey: CGZQBRAFJZQQFI-BETIJRBISA-N
monoisotopicmass: 3.52224976E2
label: ent-5-epi-5-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,E)-5-hydroxy-7-((1S,2R,3S)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18+/m1/s1
inchikey: CGZQBRAFJZQQFI-BXGMEBJPSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,E)-5-hydroxy-7-((1R,2S,3S)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18+/m1/s1
inchikey: CGZQBRAFJZQQFI-NGVFYKCESA-N
monoisotopicmass: 3.52224976E2
label: ent-5-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,E)-5-hydroxy-7-((1R,2R,3S)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18-/m0/s1
inchikey: CGZQBRAFJZQQFI-YUKQIOCNSA-N
monoisotopicmass: 3.52224976E2
label: ent-8,5-diepi-5-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,E)-5-hydroxy-7-((1S,2S,3S)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18-/m0/s1
inchikey: CGZQBRAFJZQQFI-LREUDOPASA-N
monoisotopicmass: 3.52224976E2
label: ent-8,5-diepi-5-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,E)-5-hydroxy-7-((1R,2R,3S)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18+/m1/s1
inchikey: CGZQBRAFJZQQFI-BSNCZUNCSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-epi-5-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,E)-5-hydroxy-7-((1S,2S,3S)-3-hydroxy-2-((Z)-oct-2-en-1-yl)-5-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18+/m1/s1
inchikey: CGZQBRAFJZQQFI-PUOZIXESSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-epi-5-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

12-epi-12-E2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,19-/m1/s1
inchikey: MPRHCFKBTLVOQX-AKZHIYLFSA-N
monoisotopicmass: 3.52224976E2
label: 4-((1R,2S,3R)-3-hydroxy-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

12-epi-12-E2t-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,19-/m1/s1
inchikey: MPRHCFKBTLVOQX-XOEICTMYSA-N
monoisotopicmass: 3.52224976E2
label: 4-((1S,2R,3R)-3-hydroxy-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

12-E2c-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,19+/m0/s1
inchikey: MPRHCFKBTLVOQX-WUEBRPHUSA-N
monoisotopicmass: 3.52224976E2
label: 4-((1R,2S,3R)-3-hydroxy-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

12-E2t-IsoP
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,19+/m0/s1
inchikey: MPRHCFKBTLVOQX-SGWGDRMNSA-N
monoisotopicmass: 3.52224976E2
label: 4-((1S,2R,3R)-3-hydroxy-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1S,2S,3R)-3-hydroxy-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,19-/m1/s1
inchikey: MPRHCFKBTLVOQX-WAHXKYNQSA-N
monoisotopicmass: 3.52224976E2
label: 5,12-diepi-12-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1R,2R,3R)-3-hydroxy-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,19-/m1/s1
inchikey: MPRHCFKBTLVOQX-WOUUNASPSA-N
monoisotopicmass: 3.52224976E2
label: 5,12-diepi-12-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1S,2S,3R)-3-hydroxy-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,19+/m0/s1
inchikey: MPRHCFKBTLVOQX-QNBXCEPTSA-N
monoisotopicmass: 3.52224976E2
label: 5-epi-12-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1R,2R,3R)-3-hydroxy-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,19+/m0/s1
inchikey: MPRHCFKBTLVOQX-PLIBTIPXSA-N
monoisotopicmass: 3.52224976E2
label: 5-epi-12-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1S,2R,3S)-3-hydroxy-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,19-/m0/s1
inchikey: MPRHCFKBTLVOQX-AGPMVNMISA-N
monoisotopicmass: 3.52224976E2
label: ent-12-epi-12-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1R,2S,3S)-3-hydroxy-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,19-/m0/s1
inchikey: MPRHCFKBTLVOQX-RWRNJALOSA-N
monoisotopicmass: 3.52224976E2
label: ent-12-epi-12-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1S,2R,3S)-3-hydroxy-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,19+/m1/s1
inchikey: MPRHCFKBTLVOQX-MOEAWNEWSA-N
monoisotopicmass: 3.52224976E2
label: ent-12-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1R,2S,3S)-3-hydroxy-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,19+/m1/s1
inchikey: MPRHCFKBTLVOQX-VWDJQGTESA-N
monoisotopicmass: 3.52224976E2
label: ent-12-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1R,2R,3S)-3-hydroxy-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,19-/m0/s1
inchikey: MPRHCFKBTLVOQX-PMEOIFRYSA-N
monoisotopicmass: 3.52224976E2
label: ent-5,12-diepi-12-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1S,2S,3S)-3-hydroxy-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,19-/m0/s1
inchikey: MPRHCFKBTLVOQX-DWVNRHPHSA-N
monoisotopicmass: 3.52224976E2
label: ent-5,12-diepi-12-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1R,2R,3S)-3-hydroxy-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,19+/m1/s1
inchikey: MPRHCFKBTLVOQX-PTXVHXBUSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-epi-12-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1S,2S,3S)-3-hydroxy-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,19+/m1/s1
inchikey: MPRHCFKBTLVOQX-CASWCGAFSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-epi-12-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,5Z,9E)-8-hydroxy-10-((1S,2S,3S)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+/m1/s1
inchikey: QYGFNWKZSLFKCA-CMLJBQNQSA-N
monoisotopicmass: 3.52224976E2
label: ent-11-epi-8-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,5Z,9E)-8-hydroxy-10-((1R,2R,3S)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18+/m1/s1
inchikey: QYGFNWKZSLFKCA-DFVNJMEGSA-N
monoisotopicmass: 3.52224976E2
label: ent-11-epi-8-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,5Z,9E)-8-hydroxy-10-((1R,2S,3S)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+/m1/s1
inchikey: QYGFNWKZSLFKCA-GPOABSTCSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,5Z,9E)-8-hydroxy-10-((1S,2R,3S)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+/m1/s1
inchikey: QYGFNWKZSLFKCA-DEVWMUTQSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,5Z,9E)-8-hydroxy-10-((1S,2S,3S)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18-/m0/s1
inchikey: QYGFNWKZSLFKCA-SAIQCDIPSA-N
monoisotopicmass: 3.52224976E2
label: ent-8,11-diepi-8-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,5Z,9E)-8-hydroxy-10-((1R,2R,3S)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
inchikey: QYGFNWKZSLFKCA-OUTUXVNYSA-N
monoisotopicmass: 3.52224976E2
label: ent-8,11-diepi-8-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,5Z,9E)-8-hydroxy-10-((1R,2S,3S)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-/m0/s1
inchikey: QYGFNWKZSLFKCA-FEPZOTTPSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-epi-8-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,5Z,9E)-8-hydroxy-10-((1S,2R,3S)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18-/m0/s1
inchikey: QYGFNWKZSLFKCA-PKYPQZGTSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-epi-8-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,5Z,9E)-8-hydroxy-10-((1R,2R,3R)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+/m0/s1
inchikey: QYGFNWKZSLFKCA-LJNSFSJGSA-N
monoisotopicmass: 3.52224976E2
label: 11-epi-8-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,5Z,9E)-8-hydroxy-10-((1S,2S,3R)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1
inchikey: QYGFNWKZSLFKCA-UHHGALCXSA-N
monoisotopicmass: 3.52224976E2
label: 11-epi-8-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,5Z,9E)-8-hydroxy-10-((1S,2R,3R)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+/m0/s1
inchikey: QYGFNWKZSLFKCA-BZRWIFSCSA-N
monoisotopicmass: 3.52224976E2
label: 8-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,5Z,9E)-8-hydroxy-10-((1R,2S,3R)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+/m0/s1
inchikey: QYGFNWKZSLFKCA-ZDDFUZLGSA-N
monoisotopicmass: 3.52224976E2
label: 8-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,5Z,9E)-8-hydroxy-10-((1R,2R,3R)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18-/m1/s1
inchikey: QYGFNWKZSLFKCA-OBHBYKKGSA-N
monoisotopicmass: 3.52224976E2
label: 8,11-diepi-8-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,5Z,9E)-8-hydroxy-10-((1S,2S,3R)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m1/s1
inchikey: QYGFNWKZSLFKCA-SLQLHLDPSA-N
monoisotopicmass: 3.52224976E2
label: 8,11-diepi-8-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,5Z,9E)-8-hydroxy-10-((1S,2R,3R)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-/m1/s1
inchikey: QYGFNWKZSLFKCA-SUKOLCOCSA-N
monoisotopicmass: 3.52224976E2
label: 8-epi-8-E2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,5Z,9E)-8-hydroxy-10-((1R,2S,3R)-3-hydroxy-5-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18-/m1/s1
inchikey: QYGFNWKZSLFKCA-KIUOMDKCSA-N
monoisotopicmass: 3.52224976E2
label: 8-epi-8-E2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,5Z,9E)-8-hydroxy-10-((1S,2S,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19-/m0/s1
inchikey: QJADFBZNTPJMDY-GRIBJOHYSA-N
monoisotopicmass: 3.52224976E2
label: 11-epi-8-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,5Z,9E)-8-hydroxy-10-((1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19-/m0/s1
inchikey: QJADFBZNTPJMDY-YUOXZBOXSA-N
monoisotopicmass: 3.52224976E2
label: 11-epi-8-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,5Z,9E)-8-hydroxy-10-((1S,2S,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m1/s1
inchikey: QJADFBZNTPJMDY-OBUVHCMGSA-N
monoisotopicmass: 3.52224976E2
label: 8,11-diepi-8-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,5Z,9E)-8-hydroxy-10-((1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19+/m1/s1
inchikey: QJADFBZNTPJMDY-SODXPYFYSA-N
monoisotopicmass: 3.52224976E2
label: 8,11-diepi-8-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,5Z,9E)-8-hydroxy-10-((1R,2R,5R)-5-hydroxy-3-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19-/m1/s1
inchikey: QJADFBZNTPJMDY-GKEZHNTDSA-N
monoisotopicmass: 3.52224976E2
label: ent-11-epi-8-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,5Z,9E)-8-hydroxy-10-((1S,2S,5R)-5-hydroxy-3-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19-/m1/s1
inchikey: QJADFBZNTPJMDY-GBFIWHBNSA-N
monoisotopicmass: 3.52224976E2
label: ent-11-epi-8-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,5Z,9E)-8-hydroxy-10-((1R,2R,5R)-5-hydroxy-3-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
inchikey: QJADFBZNTPJMDY-ARSRFYASSA-N
monoisotopicmass: 3.52224976E2
label: ent-8,11-diepi-8-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,5Z,9E)-8-hydroxy-10-((1S,2S,5R)-5-hydroxy-3-oxo-2-pentylcyclopentyl)deca-5,9-dienoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19+/m0/s1
inchikey: QJADFBZNTPJMDY-BSBCLDFQSA-N
monoisotopicmass: 3.52224976E2
label: ent-8,11-diepi-8-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,E)-5-hydroxy-7-((1S,2S,5S)-5-hydroxy-2-((Z)-oct-2-en-1-yl)-3-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,19-/m0/s1
inchikey: RIBVJRIPUIBKFY-DWVNRHPHSA-N
monoisotopicmass: 3.52224976E2
label: 8-epi-5-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,E)-5-hydroxy-7-((1R,2R,5S)-5-hydroxy-2-((Z)-oct-2-en-1-yl)-3-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,19-/m0/s1
inchikey: RIBVJRIPUIBKFY-PMEOIFRYSA-N
monoisotopicmass: 3.52224976E2
label: 8-epi-5-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,E)-5-hydroxy-7-((1S,2S,5S)-5-hydroxy-2-((Z)-oct-2-en-1-yl)-3-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,19+/m1/s1
inchikey: RIBVJRIPUIBKFY-CASWCGAFSA-N
monoisotopicmass: 3.52224976E2
label: 5,8-diepi-5-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,E)-5-hydroxy-7-((1R,2R,5S)-5-hydroxy-2-((Z)-oct-2-en-1-yl)-3-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,19+/m1/s1
inchikey: RIBVJRIPUIBKFY-PTXVHXBUSA-N
monoisotopicmass: 3.52224976E2
label: 5,8-diepi-5-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,E)-5-hydroxy-7-((1R,2R,5R)-5-hydroxy-2-((Z)-oct-2-en-1-yl)-3-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,19-/m1/s1
inchikey: RIBVJRIPUIBKFY-WOUUNASPSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-epi-5-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(R,E)-5-hydroxy-7-((1S,2S,5R)-5-hydroxy-2-((Z)-oct-2-en-1-yl)-3-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,19-/m1/s1
inchikey: RIBVJRIPUIBKFY-WAHXKYNQSA-N
monoisotopicmass: 3.52224976E2
label: ent-8-epi-5-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,E)-5-hydroxy-7-((1R,2R,5R)-5-hydroxy-2-((Z)-oct-2-en-1-yl)-3-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,19+/m0/s1
inchikey: RIBVJRIPUIBKFY-PLIBTIPXSA-N
monoisotopicmass: 3.52224976E2
label: ent-5,8-diepi-5-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

(S,E)-5-hydroxy-7-((1S,2S,5R)-5-hydroxy-2-((Z)-oct-2-en-1-yl)-3-oxocyclopentyl)hept-6-enoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,19+/m0/s1
inchikey: RIBVJRIPUIBKFY-QNBXCEPTSA-N
monoisotopicmass: 3.52224976E2
label: ent-5,8-diepi-5-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1S,2S,5S)-5-hydroxy-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-3-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18-/m0/s1
inchikey: VRHOOVVYFPUEHK-LREUDOPASA-N
monoisotopicmass: 3.52224976E2
label: 5-epi-12-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1R,2R,5S)-5-hydroxy-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-3-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18-/m0/s1
inchikey: VRHOOVVYFPUEHK-YUKQIOCNSA-N
monoisotopicmass: 3.52224976E2
label: 5-epi-12-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1S,2S,5S)-5-hydroxy-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-3-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18+/m1/s1
inchikey: VRHOOVVYFPUEHK-PUOZIXESSA-N
monoisotopicmass: 3.52224976E2
label: 5,12-diepi-12-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1R,2R,5S)-5-hydroxy-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-3-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18+/m1/s1
inchikey: VRHOOVVYFPUEHK-BSNCZUNCSA-N
monoisotopicmass: 3.52224976E2
label: 5,12-diepi-12-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1R,2R,5R)-5-hydroxy-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-3-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18-/m1/s1
inchikey: VRHOOVVYFPUEHK-QWSZIQNKSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-epi-12-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1S,2S,5R)-5-hydroxy-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-3-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18-/m1/s1
inchikey: VRHOOVVYFPUEHK-RCCKLYHBSA-N
monoisotopicmass: 3.52224976E2
label: ent-5-epi-12-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1R,2R,5R)-5-hydroxy-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-3-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17+,18+/m0/s1
inchikey: VRHOOVVYFPUEHK-WSJHUFHNSA-N
monoisotopicmass: 3.52224976E2
label: ent-5,12-diepi-12-D2c-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

4-((1S,2S,5R)-5-hydroxy-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-3-oxocyclopentyl)butanoic acid
type: Class
formula: C20H32O5
inchi: InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17-,18+/m0/s1
inchikey: VRHOOVVYFPUEHK-KILOKERPSA-N
monoisotopicmass: 3.52224976E2
label: ent-5,12-diepi-12-D2t-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:4;O3

12-epi-12-A2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-17(21)14-12-16-13-15-19(22)18(16)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-12+/t16-,17-,18-/m1/s1
inchikey: MTFMYYFQAUYNRG-WPRMYMKKSA-N
monoisotopicmass: 3.34214411E2
label: 4-((1R,2R)-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopent-3-en-1-yl)butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

12-A2-IsoP
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-17(21)14-12-16-13-15-19(22)18(16)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-12+/t16-,17+,18-/m1/s1
inchikey: MTFMYYFQAUYNRG-SEIRXARCSA-N
monoisotopicmass: 3.34214411E2
label: 4-((1R,2R)-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopent-3-en-1-yl)butanoic acid
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

4-((1S,2R)-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopent-3-en-1-yl)butanoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-17(21)14-12-16-13-15-19(22)18(16)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-12+/t16-,17-,18+/m1/s1
inchikey: MTFMYYFQAUYNRG-DLYWQNDLSA-N
monoisotopicmass: 3.34214411E2
label: 5,12-diepi-12-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

4-((1S,2R)-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopent-3-en-1-yl)butanoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-17(21)14-12-16-13-15-19(22)18(16)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-12+/t16-,17+,18+/m1/s1
inchikey: MTFMYYFQAUYNRG-SDLOHEQWSA-N
monoisotopicmass: 3.34214411E2
label: 5-epi-12-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

4-((1S,2S)-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopent-3-en-1-yl)butanoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-17(21)14-12-16-13-15-19(22)18(16)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-12+/t16-,17-,18-/m0/s1
inchikey: MTFMYYFQAUYNRG-IZRQBXBXSA-N
monoisotopicmass: 3.34214411E2
label: ent-12-epi-12-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

4-((1S,2S)-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopent-3-en-1-yl)butanoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-17(21)14-12-16-13-15-19(22)18(16)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-12+/t16-,17+,18-/m0/s1
inchikey: MTFMYYFQAUYNRG-NFASSDLVSA-N
monoisotopicmass: 3.34214411E2
label: ent-12-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

4-((1R,2S)-2-((S,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopent-3-en-1-yl)butanoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-17(21)14-12-16-13-15-19(22)18(16)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-12+/t16-,17-,18+/m0/s1
inchikey: MTFMYYFQAUYNRG-KYDXQMOZSA-N
monoisotopicmass: 3.34214411E2
label: ent-5,12-diepi-12-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

4-((1R,2S)-2-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-5-oxocyclopent-3-en-1-yl)butanoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-17(21)14-12-16-13-15-19(22)18(16)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-12+/t16-,17+,18+/m0/s1
inchikey: MTFMYYFQAUYNRG-PFXXEFENSA-N
monoisotopicmass: 3.34214411E2
label: ent-5-epi-12-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

(R,E)-5-hydroxy-7-((1S,2R)-2-((Z)-oct-2-en-1-yl)-5-oxocyclopent-3-en-1-yl)hept-6-enoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-16-12-15-19(22)18(16)14-13-17(21)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17-,18+/m1/s1
inchikey: RJVZVQFMKQNQJP-WXQBQWEHSA-N
monoisotopicmass: 3.34214411E2
label: 5,8-diepi-5-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_197185
abbrev: FA 20:5;O2

(R,E)-5-hydroxy-7-((1R,2R)-2-((Z)-oct-2-en-1-yl)-5-oxocyclopent-3-en-1-yl)hept-6-enoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-16-12-15-19(22)18(16)14-13-17(21)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17-,18-/m1/s1
inchikey: RJVZVQFMKQNQJP-CQVQEQMBSA-N
monoisotopicmass: 3.34214411E2
label: 5-epi-5-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

(S,E)-5-hydroxy-7-((1R,2R)-2-((Z)-oct-2-en-1-yl)-5-oxocyclopent-3-en-1-yl)hept-6-enoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-16-12-15-19(22)18(16)14-13-17(21)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17+,18-/m1/s1
inchikey: RJVZVQFMKQNQJP-LFSUCQDASA-N
monoisotopicmass: 3.34214411E2
label: 5-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

5S-hydroxy-9-oxo-6E,10,14Z-prostatrienoic acid-cyclo[8S,12R]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-16-12-15-19(22)18(16)14-13-17(21)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17+,18+/m1/s1
inchikey: RJVZVQFMKQNQJP-YWSQBGIXSA-N
monoisotopicmass: 3.34214411E2
label: 8-epi-5-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

(S,E)-5-hydroxy-7-((1R,2S)-2-((Z)-oct-2-en-1-yl)-5-oxocyclopent-3-en-1-yl)hept-6-enoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-16-12-15-19(22)18(16)14-13-17(21)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17-,18+/m0/s1
inchikey: RJVZVQFMKQNQJP-CAZFLBFPSA-N
monoisotopicmass: 3.34214411E2
label: ent-5,8-diepi-5-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

(S,E)-5-hydroxy-7-((1S,2S)-2-((Z)-oct-2-en-1-yl)-5-oxocyclopent-3-en-1-yl)hept-6-enoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-16-12-15-19(22)18(16)14-13-17(21)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17-,18-/m0/s1
inchikey: RJVZVQFMKQNQJP-ISASVXBDSA-N
monoisotopicmass: 3.34214411E2
label: ent-5-epi-5-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

(R,E)-5-hydroxy-7-((1S,2S)-2-((Z)-oct-2-en-1-yl)-5-oxocyclopent-3-en-1-yl)hept-6-enoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-16-12-15-19(22)18(16)14-13-17(21)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17+,18-/m0/s1
inchikey: RJVZVQFMKQNQJP-IVSINRFPSA-N
monoisotopicmass: 3.34214411E2
label: ent-5-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

5S-hydroxy-9-oxo-6E,10,14Z-prostatrienoic acid-cyclo[8R,12S]
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-9-16-12-15-19(22)18(16)14-13-17(21)10-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17+,18+/m0/s1
inchikey: RJVZVQFMKQNQJP-PKFUMWBMSA-N
monoisotopicmass: 3.34214411E2
label: ent-8-epi-5-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

(S,5Z,9E)-8-hydroxy-10-((1S,5R)-2-oxo-5-pentylcyclopent-3-en-1-yl)deca-5,9-dienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-16-12-15-19(22)18(16)14-13-17(21)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17+,18+/m1/s1
inchikey: WCMBVZNXINALLE-FZTCNJBPSA-N
monoisotopicmass: 3.34214411E2
label: 11-epi-8-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

(R,5Z,9E)-8-hydroxy-10-((1S,5R)-2-oxo-5-pentylcyclopent-3-en-1-yl)deca-5,9-dienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-16-12-15-19(22)18(16)14-13-17(21)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m1/s1
inchikey: WCMBVZNXINALLE-HFVATSGYSA-N
monoisotopicmass: 3.34214411E2
label: 8,11-diepi-8-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

(R,5Z,9E)-8-hydroxy-10-((1R,5R)-2-oxo-5-pentylcyclopent-3-en-1-yl)deca-5,9-dienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-16-12-15-19(22)18(16)14-13-17(21)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18-/m1/s1
inchikey: WCMBVZNXINALLE-ZJOCCBHUSA-N
monoisotopicmass: 3.34214411E2
label: 8-epi-8-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

(S,5Z,9E)-8-hydroxy-10-((1R,5R)-2-oxo-5-pentylcyclopent-3-en-1-yl)deca-5,9-dienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-16-12-15-19(22)18(16)14-13-17(21)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17+,18-/m1/s1
inchikey: WCMBVZNXINALLE-CMZRNJOUSA-N
monoisotopicmass: 3.34214411E2
label: 8-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

(R,5Z,9E)-8-hydroxy-10-((1R,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl)deca-5,9-dienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-16-12-15-19(22)18(16)14-13-17(21)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17+,18+/m0/s1
inchikey: WCMBVZNXINALLE-ZGCAFGAXSA-N
monoisotopicmass: 3.34214411E2
label: ent-11-epi-8-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
equivalent class: CHEBI_184761
abbrev: FA 20:5;O2

(S,5Z,9E)-8-hydroxy-10-((1R,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl)deca-5,9-dienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-16-12-15-19(22)18(16)14-13-17(21)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1
inchikey: WCMBVZNXINALLE-POPPZSFYSA-N
monoisotopicmass: 3.34214411E2
label: ent-8,11-diepi-8-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

(S,5Z,9E)-8-hydroxy-10-((1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl)deca-5,9-dienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-16-12-15-19(22)18(16)14-13-17(21)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18-/m0/s1
inchikey: WCMBVZNXINALLE-YQGAQKBJSA-N
monoisotopicmass: 3.34214411E2
label: ent-8-epi-8-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

(R,5Z,9E)-8-hydroxy-10-((1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl)deca-5,9-dienoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-6-9-16-12-15-19(22)18(16)14-13-17(21)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17+,18-/m0/s1
inchikey: WCMBVZNXINALLE-KRKSYEERSA-N
monoisotopicmass: 3.34214411E2
label: ent-8-A2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2

4-((1S,5R)-5-((R,1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)-4-oxocyclopent-2-en-1-yl)butanoic acid
type: Class
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-2-3-4-5-6-7-10-17(21)13-14-18-16(12-15-19(18)22)9-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17+,18+/m0/s1
inchikey: QSORPTYLBPEZGL-PKFUMWBMSA-N
monoisotopicmass: 3.34214411E2
label: ent-5-epi-12-J2-IsoP
subclass of: https://www.lipidmaps.org/rdf/category/10311
abbrev: FA 20:5;O2