44256544
  CDK     0829231231

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.0790    1.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -2.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1 16  1  0  0  0  0 
  2 16  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 
 10 11  2  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 12 15  1  0  0  0  0 
 13 15  2  0  0  0  0 
 14 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:196078

> <NAME>
8Z,10E-Tetradecadienyl acetate

> <STAR>
2

> <IUPAC_NAME>
[(8Z,10E)-tetradeca-8,10-dienyl] acetate

> <FORMULA>
C16H28O2

> <MASS>
252.398

> <MONOISOTOPIC_MASS>
252.20893

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h5-8H,3-4,9-15H2,1-2H3/b6-5+,8-7-

> <INCHIKEY>
UOGXIKWNCIJUKX-MDAAKZFYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010319

$$$$