Mrv1652309272007302D          

 15 14  0  0  0  0            999 V2000
 9998.0454 9998.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.7603 9997.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.4735 9998.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.1888 9997.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.9042 9998.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.6174 9997.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.3328 9998.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.9042 9999.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3309 9997.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.6141 9998.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.8996 9997.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.1850 9998.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.4705 9997.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.1850 9999.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.0454 9999.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB014895

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+

> <INCHI_KEY>
CXENHBSYCFFKJS-VDQVFBMKSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.857514706649745

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene

> <ALOGPS_LOGP>
5.70

> <JCHEM_LOGP>
5.138880741333333

> <ALOGPS_LOGS>
-4.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
73.2541

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.19e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
farnesene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014895

> <GENERIC_NAME>
(3E,6E)-alpha-Farnesene

$$$$