LMFA02000053
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0  0  0  0  0  0  0  0999 V2000
    5.7140    5.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7080    7.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    7.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1236    7.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8315    7.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5395    7.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2473    7.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9552    7.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6630    7.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3708    7.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3708    8.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0787    7.0232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1296    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8312    6.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6485    6.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2873    5.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9085    6.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4156    6.2269    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3069    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21  2  1  0  0  0  0
  1 21  2  0  0  0  0
 19  1  1  0  0  0  0
 19 14  1  0  0  0  0
  2  3  2  0  0  0  0
  3  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  2  0  0  0  0
 11 13  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
 19 20  1  1  0  0  0
  1 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000053

> <COMMON_NAME>
12,13S-EOT

> <SYSTEMATIC_NAME>
12,13S-epoxy-9Z,11,15Z-octadecatrienoic acid

> <FORMULA>
C18H28O3

> <MASS>
292.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate;(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid; 12,13(S)-EOT; 12,13(S)-epoxy-9(Z),11,15(Z)-octadecatrienoic acid

> <INCHI_KEY>
YZBZORUZOSCZRN-DSRRMRMISA-N

> <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

> <SMILES>
C1(/O[C@H]/1C/C=C\CC)=C\C=C/CCCCCCCC(O)=O

> <KEGG_ID>
C04672

> <HMDB_ID>
-

> <CHEBI_ID>
180940

> <ABBREVIATION>
FA 18:4;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280712

> <LIPIDBANK_ID>
-

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$