5319992
  CDK     0602212310

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.9916   -0.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7488   -1.7418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8238    1.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833    2.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6698    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2756    3.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2058    1.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6624    0.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2363    0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382    1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785    1.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6913   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0204   -1.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3496   -2.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -3.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0780   -3.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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 
  3  9  1  0  0  0  0 
  3 10  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 11  2  0  0  0  0 
  8 12  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:173710

> <NAME>
(-)-Myrtenyl isovalerate

> <STAR>
2

> <IUPAC_NAME>
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 3-methylbutanoate

> <FORMULA>
C15H24O2

> <MASS>
236.355

> <MONOISOTOPIC_MASS>
236.17763

> <CHARGE>
0

> <SMILES>
O(CC=1C2C(C(C2)CC1)(C)C)C(=O)CC(C)C

> <INCHI>
InChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-11-5-6-12-8-13(11)15(12,3)4/h5,10,12-13H,6-9H2,1-4H3

> <INCHIKEY>
TVGPYTOYKLZBPA-UHFFFAOYSA-N

$$$$