Himachalen-alpha
  Mrv1572001071617122D          
  Mrv0541 01101309082D          
 15 16  0  0  0  0            999 V2000
   -2.9717    1.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    0.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9717   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2572    0.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2572    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4006   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122   -0.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8079    0.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4499    0.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8079    1.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122    1.7351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    2.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1409   -0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4106   -0.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 12 13  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB006574

> <DATABASE_NAME>
foodb

> <SMILES>
CC1=CC2C(CC1)C(=C)CCCC2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3

> <INCHI_KEY>
ZJSIKVDEOWWVEH-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.061656706271897

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,5,5-trimethyl-9-methylidene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene

> <ALOGPS_LOGP>
5.13

> <JCHEM_LOGP>
4.519309391666669

> <ALOGPS_LOGS>
-4.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
67.4524

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.62e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α-himachalene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB006574

> <GENERIC_NAME>
alpha-Himachalene

$$$$