LMFA02000460
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   -0.4309   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309   -0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4309    0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1675   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0360   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9045   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7730   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6415   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5100   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3785   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2470   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1155   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9840   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8525   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7210   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5895   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4580   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3266   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1951   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7210   -1.7415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  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
 16 21  2  0  0  0  0
M  END
> <LM_ID>
LMFA02000460

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
14-oxo-12E-octadecenoic acid

> <FORMULA>
C18H32O3

> <MASS>
296.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RESSGZJPPMBPGH-NTCAYCPXSA-N

> <INCHI>
InChI=1S/C18H32O3/c1-2-3-14-17(19)15-12-10-8-6-4-5-7-9-11-13-16-18(20)21/h12,15H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+

> <SMILES>
C(CCCCCCCCCC/C=C/C(=O)CCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
176209783

> <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>
Oxo fatty acids [FA0106]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
265730

> <CITATION>
39439174

$$$$