LMFA01031142
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   -1.7875   -1.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6559   -1.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5245   -0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3930   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2598    0.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1266    0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206   -1.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9257   -1.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924   -1.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6593   -1.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5262   -1.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3930   -1.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2598   -1.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1266   -1.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0803   -1.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9935    0.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8602    0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1266    1.7473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9935   -1.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8602   -1.7473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9935   -0.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  3  0     0  0
  3  4  1  0     0  0
  4  5  3  0     0  0
  5  6  1  0     0  0
  1  7  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  7 15  2  0     0  0
 15  8  1  0     0  0
  6 16  1  0     0  0
 16 17  2  0     0  0
  6 18  2  0     0  0
 14 19  1  0     0  0
 19 20  1  0     0  0
 19 21  2  0     0  0
M  END
> <LM_ID>
LMFA01031142

> <COMMON_NAME>
(Z)-16-oxo-octadeca-9,17-dien-12,14-diynoic acid

> <SYSTEMATIC_NAME>
16-oxo-octadeca-9Z,17-dien-12,14-diynoic acid

> <FORMULA>
C18H22O3

> <MASS>
286.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RDXYIPKEXLIJQI-HYXAFXHYSA-N

> <INCHI>
InChI=1S/C18H22O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h2-3,5H,1,4,6-8,10,12,14,16H2,(H,20,21)/b5-3-

> <SMILES>
C(/C=C\CCCCCCCC(=O)O)C#CC#CC(=O)C=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:7;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812106

> <LIPIDBANK_ID>
-

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

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Octadecanoids [FA02]

> <ALT_SUB_CLASSES>
Oxo fatty acids [FA0106]; 

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$