101416076
  CDK     0829231231

 15 14  0  0  0  0  0  0  0  0999 V2000
    8.7949    0.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094   -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
    7.3659    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
    4.5080    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.3630    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
    5.2224   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.8745    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
    8.0804   -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
    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
  1 12  1  0  0  0  0 
  1 14  1  0  0  0  0 
  2 14  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  8  1  0  0  0  0 
  3 10  1  0  0  0  0 
  4 12  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8  9  2  0  0  0  0 
 11 13  1  0  0  0  0 
 14 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:195943

> <NAME>
(+/-)-(E)-3-Methyl-4-decen-1-yl acetate

> <STAR>
2

> <IUPAC_NAME>
[(E)-3-methyldec-4-enyl] acetate

> <FORMULA>
C13H24O2

> <MASS>
212.333

> <MONOISOTOPIC_MASS>
212.17763

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C13H24O2/c1-4-5-6-7-8-9-12(2)10-11-15-13(3)14/h8-9,12H,4-7,10-11H2,1-3H3/b9-8+

> <INCHIKEY>
NSCSPGLXFSPKCQ-CMDGGOBGSA-N

$$$$