5367504
  CDK     0829231231

 16 15  0  0  0  0  0  0  0  0999 V2000
    3.0790    0.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6529    0.3630    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 15  1  0  0  0  0 
 14 16  2  0  0  0  0 
M  END
> <ID>
CHEBI:196040

> <NAME>
9E,11-Dodecadienyl acetate

> <STAR>
2

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

> <FORMULA>
C14H24O2

> <MASS>
224.344

> <MONOISOTOPIC_MASS>
224.17763

> <CHARGE>
0

> <SMILES>
O(CCCCCCCC/C=C/C=C)C(=O)C

> <INCHI>
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-5H,1,6-13H2,2H3/b5-4+

> <INCHIKEY>
ARPQLVHCERGNAB-SNAWJCMRSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010228

$$$$