10911208
  CDK     1202211635

 16 15  0  0  0  0  0  0  0  0999 V2000
    3.0790   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.4751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0 
  1 15  1  0  0  0  0 
  2 15  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 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 13  2  0  0  0  0 
 12 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 15 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:184552

> <NAME>
3E,5Z-Dodecadienyl acetate

> <STAR>
2

> <IUPAC_NAME>
[(3E,5Z)-dodeca-3,5-dienyl] acetate

> <FORMULA>
C14H24O2

> <MASS>
224.344

> <MONOISOTOPIC_MASS>
224.17763

> <CHARGE>
0

> <SMILES>
O(CC\C=C\C=C/CCCCCC)C(=O)C

> <INCHI>
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h8-11H,3-7,12-13H2,1-2H3/b9-8-,11-10+

> <INCHIKEY>
ZKUWHODMAHRIFM-QNRZBPGKSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010236

$$$$