56936012
  CDK     0829231231

 15 14  0  0  0  0  0  0  0  0999 V2000
    7.3659    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    0.6188    0.0000 C   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
  1 11  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  8  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7 10  1  0  0  0  0 
  7 12  2  0  0  0  0 
 10 11  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:195951

> <NAME>
3-Methylene-7-methyl-7-octenyl propionate

> <STAR>
2

> <IUPAC_NAME>
(7-methyl-3-methylideneoctyl) propanoate

> <FORMULA>
C13H24O2

> <MASS>
212.333

> <MONOISOTOPIC_MASS>
212.17763

> <CHARGE>
0

> <SMILES>
O(CCC(CCCC(C)C)=C)C(=O)CC

> <INCHI>
InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h11H,4-10H2,1-3H3

> <INCHIKEY>
HZTKMMXHERVWFC-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010610

$$$$