529621
  CDK     0404242200

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.3644   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -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
    3.0789    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165   -0.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165    1.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5640   -0.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5640    0.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2768   -0.6387    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  4  1  0  0  0  0 
  2  8  1  0  0  0  0 
  2  9  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4 10  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7 14  2  0  0  0  0 
 10 12  2  0  0  0  0 
 11 13  2  0  0  0  0 
 12 13  1  0  0  0  0 
 12 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:230232

> <NAME>
beta-Calacorene

> <STAR>
2

> <IUPAC_NAME>
7-methyl-4-methylidene-1-propan-2-yl-2,3-dihydro-1H-naphthalene

> <FORMULA>
C15H20

> <MASS>
200.325

> <MONOISOTOPIC_MASS>
200.15650

> <CHARGE>
0

> <SMILES>
C1(C(C)C)CCC(C2=C1C=C(C=C2)C)=C

> <INCHI>
InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,13H,4,6,8H2,1-3H3

> <INCHIKEY>
KFYISTOZYAKAPV-UHFFFAOYSA-N

$$$$