LMFA02000268
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   21.2940    6.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1831    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2940    7.6964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3983    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5021    6.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6061    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7100    6.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8138    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9178    6.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0217    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1256    6.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2295    6.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3334    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4373    6.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5413    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6451    6.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7490    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8529    6.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9568    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4373    7.6050    0.0000 O   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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  2  0  0  0  0
M  END
> <LM_ID>
LMFA02000268

> <COMMON_NAME>
12-OxoOME(9Z)

> <SYSTEMATIC_NAME>
12-oxo-9Z-octadecenoic acid

> <FORMULA>
C18H32O3

> <MASS>
296.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12-Keto-oleic acid;  9(Z)-12-oxo-OME

> <INCHI_KEY>
QHEOVCWNVASAFS-XFXZXTDPSA-N

> <INCHI>
InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312913

> <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>
-

$$$$