79044
  CDK     1202211636

 10 11  0  0  0  0  0  0  0  0999 V2000
    4.5083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9208   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9208    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:184750

> <NAME>
3,7,7-Trimethylbicyclo[4.1.0]hept-2-ene

> <STAR>
2

> <IUPAC_NAME>
3,7,7-trimethylbicyclo[4.1.0]hept-2-ene

> <FORMULA>
C10H16

> <MASS>
136.238

> <MONOISOTOPIC_MASS>
136.12520

> <CHARGE>
0

> <SMILES>
C1(C2C1C=C(CC2)C)(C)C

> <INCHI>
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3

> <INCHIKEY>
IBVJWOMJGCHRRW-UHFFFAOYSA-N

$$$$