LMFA03050013
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0     0  0            999 V2000
   14.6574    7.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3768    7.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5171    8.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2366    8.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0963    7.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9560    8.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8158    7.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6755    8.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5353    7.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3950    8.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2547    7.8496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3950    9.3386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7977    8.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9381    7.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0784    8.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2188    7.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3591    8.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4993    7.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6397    8.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7800    7.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9204    8.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2602    9.3048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0547    9.3048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9381    6.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3591    9.3385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2186    9.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0784    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1143    8.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
  3 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 23  1  0  0  0  0
 14 25  1  0  0  0  0
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
> <LM_ID>
LMFA03050013

> <COMMON_NAME>
methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate

> <SYSTEMATIC_NAME>
methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate

> <FORMULA>
C21H34O8

> <MASS>
414.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PHFOFPDSQPMIQP-XUZYXDFQSA-N

> <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+

> <SMILES>
C1C(OOC1/C=C/C=C/CCCC(=O)OC)C(OO)/C=C/C(OO)CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165289

> <ABBREVIATION>
FA 21:4;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283150

> <LIPIDBANK_ID>
DFA8092

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$