Mrv1533004161506062D          

 15 17  0  0  0  0            999 V2000
    1.8358   -1.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856   -0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706   -0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2485    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0731    0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811    1.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0318    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1217    1.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4511    0.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9843    0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4528   -0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1393   -0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9754   -0.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1193    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8925    0.5921    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
  3  4  1  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
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB009128

> <DATABASE_NAME>
foodb

> <SMILES>
CC1CCC2C(C)(C)C3CC12CC=C3C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3

> <INCHI_KEY>
IRAQOCYXUMOFCW-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.721793180252554

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,6,6,8-tetramethyltricyclo[5.3.1.0¹,⁵]undec-8-ene

> <ALOGPS_LOGP>
5.18

> <JCHEM_LOGP>
4.101158186333333

> <ALOGPS_LOGS>
-5.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
65.6944

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.60e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cedrene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB009128

> <GENERIC_NAME>
Cedarwood oil terpenes

$$$$