Mrv1652303202019002D          

 15 14  0  0  0  0            999 V2000
    1.7890   -0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0570    0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0570    1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071    1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570    1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570    2.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890    1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890    0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570   -0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570   -1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890   -1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071   -1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071   -2.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  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 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB014702

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)=CCC\C(C)=C/CCC(=C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12-

> <INCHI_KEY>
JSNRRGGBADWTMC-QINSGFPZSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.74914017805445

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(6Z)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene

> <ALOGPS_LOGP>
5.70

> <JCHEM_LOGP>
5.196814411666667

> <ALOGPS_LOGS>
-4.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
72.18159999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.38e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(Z)-β-farnesene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014702

> <GENERIC_NAME>
beta-Farnesene

$$$$