6436668
  CDK     0829231231

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.0790    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6529    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6529    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3674    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 13  1  0  0  0  0 
  2 13  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 
 11 12  2  0  0  0  0 
 12 14  1  0  0  0  0 
 13 16  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:196069

> <NAME>
9E,11Z-Tetradecadienyl acetate

> <STAR>
2

> <IUPAC_NAME>
[(9E,11Z)-tetradeca-9,11-dienyl] acetate

> <FORMULA>
C16H28O2

> <MASS>
252.398

> <MONOISOTOPIC_MASS>
252.20893

> <CHARGE>
0

> <SMILES>
O(CCCCCCCC/C=C/C=C\CC)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/h4-7H,3,8-15H2,1-2H3/b5-4-,7-6+

> <INCHIKEY>
RFEQLTBBKNKGGJ-SCFJQAPRSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010305

$$$$