LMFA02000310
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
    7.0618   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1958   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4639   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5979   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7319   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8660   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9999   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1339   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7319   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5979   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4639   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3300   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1959   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1958   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0618   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9278   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9278   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5979    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
  1 19  2  0     0  0
  1 20  1  0     0  0
 12 21  2  0     0  0
M  END
> <LM_ID>
LMFA02000310

> <COMMON_NAME>
12-Keto-9Z,13Z,15Z-octadecatrienoic acid

> <SYSTEMATIC_NAME>
12-Oxo-9Z,13Z,15Z-octadecatrienoic acid

> <FORMULA>
C18H28O3

> <MASS>
292.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12-Oxo-9,13,15-octadecatrienoic acid, (Z,E,Z)-; 12-Oxo-9c,13t,15c-octadecatrienoic acid

> <INCHI_KEY>
KWTFJBXQTYIPIU-YMVUBCEOSA-N

> <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+

> <SMILES>
C(O)(=O)CCCCCCC/C=C\CC(=O)/C=C/C=C\CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197235

> <ABBREVIATION>
FA 18:4;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131839809

> <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]; Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$