LMFA02030069
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0  0  0  0  0  0  0  0999 V2000
   -0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0769   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7969   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2369   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6769   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3969   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1169   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8369   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5569   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2299   -0.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0201   -0.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5116   -1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0201   -1.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2299   -1.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5569   -2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8369   -1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1169    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2336   -2.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 13  1  1  0  0  0
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 11 21  1  1  0  0  0
 17 22  2  0  0  0  0
M  END
> <LM_ID>
LMFA02030069

> <COMMON_NAME>
9-J1-PhytoP

> <SYSTEMATIC_NAME>
(S,E)-11-((1R,5R)-5-ethyl-4-oxocyclopent-2-en-1-yl)-9-hydroxyundec-10-enoic acid

> <FORMULA>
C18H28O4

> <MASS>
308.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Phytoprostanes [FA0203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(9S)-9-J1-PhytoP[12S,16R]

> <INCHI_KEY>
MYTDGCAXWORFIK-BKAHTCAJSA-N

> <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

> <SMILES>
C(CCCCCCC[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102362224

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$