Mrv1652303202019002D          

 16 18  0  0  1  0            999 V2000
    0.6253    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5187    0.4513    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2066    0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0949   -0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7117   -0.8886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1148   -0.1154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7449    0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618    0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7346   -0.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1168   -1.1178    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3274   -1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6023   -2.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8181   -2.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5148   -0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2935   -1.6131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8393   -0.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
  5 15  1  1  0  0  0
  6 16  1  6  0  0  0
 10 16  1  6  0  0  0
M  END
> <DATABASE_ID>
FDB003904

> <DATABASE_NAME>
foodb

> <SMILES>
[H][C@@]12CC[C@@H](C)[C@]11C[C@@H](C(C)=CC1)C2(C)C

> <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/t11-,12+,13+,15+/m1/s1

> <INCHI_KEY>
IRAQOCYXUMOFCW-OSFYFWSMSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.628158060679286

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]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>
(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undec-8-ene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB003904

> <GENERIC_NAME>
alpha-Cedrene

$$$$