LMFA02000020
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0  0  0  0  0  0  0  0999 V2000
   17.6753    6.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3854    6.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6753    7.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9598    6.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2441    6.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5283    6.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8127    6.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0969    6.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3811    6.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6655    6.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9497    6.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2340    6.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5182    6.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8025    6.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9497    7.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9656    6.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4089    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2828    6.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5347    5.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5696    5.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7963    6.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
 13 14  1  0  0  0  0
 11 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 14 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000020

> <COMMON_NAME>
9H-12(13)-EpODE

> <SYSTEMATIC_NAME>
9S-hydroxy-12R,13S-epoxy-10E,15Z-octadecadienoic acid

> <FORMULA>
C18H30O4

> <MASS>
310.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MGYJEJUWQRJNBN-OADLNGDBSA-N

> <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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165763

> <ABBREVIATION>
FA 18:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061054

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Epoxy fatty acids [FA0107]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$