6437421
  CDK     1202211635

 17 16  0  0  0  0  0  0  0  0999 V2000
    3.0790   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  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 12  2  0  0  0  0 
  9 10  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 15  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 14  1  0  0  0  0 
 13 14  2  0  0  0  0 
 16 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:184437

> <NAME>
4E,7Z-Tridecadienyl acetate

> <STAR>
2

> <IUPAC_NAME>
[(4E,7Z)-trideca-4,7-dienyl] acetate

> <FORMULA>
C15H26O2

> <MASS>
238.371

> <MONOISOTOPIC_MASS>
238.19328

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+

> <INCHIKEY>
LELQZCNRZHLYFG-QEFCTBRHSA-N

> <CAS_REGISTRY_NUMBER>
61389-12-6

> <CHEMIDPLUS>
61389-12-6

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010269

$$$$