5312467
  CDK     0829231231

 20 19  0  0  0  0  0  0  0  0999 V2000
    2.0929    4.0755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    2.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -3.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -3.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -4.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    2.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    2.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    3.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    4.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    3.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    4.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    3.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0 
  2 20  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  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 
M  END
> <ID>
CHEBI:196548

> <NAME>
4Z,7Z-octadecadienoic acid

> <STAR>
2

> <IUPAC_NAME>
(4Z,7Z)-octadeca-4,7-dienoic acid

> <FORMULA>
C18H32O2

> <MASS>
280.452

> <MONOISOTOPIC_MASS>
280.24023

> <CHARGE>
0

> <SMILES>
OC(=O)CC/C=C\C/C=C\CCCCCCCCCC

> <INCHI>
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12,14-15H,2-10,13,16-17H2,1H3,(H,19,20)/b12-11-,15-14-

> <INCHIKEY>
QKPOMFIVYLKGDE-HDXUUTQWSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030316

$$$$