Mrv1652307301920022D          

 21 23  0  0  1  0            999 V2000
    1.7689    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9868    1.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1004    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4528   -0.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7453    1.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    0.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536   -0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8558   -0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9771    1.9475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8983    0.6149    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0545    0.8073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4536    1.3098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6331    1.3955    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1655    1.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6322   -0.1660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7313   -0.9850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1713    2.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4599    0.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7548    0.6473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0205    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3575    2.1731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  6  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14  2  1  0  0  0  0
 14  3  1  0  0  0  0
 11 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15  4  1  6  0  0  0
 15  8  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  1  0  0  0
  9 17  1  1  0  0  0
 10 18  1  1  0  0  0
 11 19  1  6  0  0  0
 12 20  1  1  0  0  0
 13 21  1  6  0  0  0
M  END
> <DATABASE_ID>
FDB015568

> <DATABASE_NAME>
foodb

> <SMILES>
[H][C@@]12CC[C@](C)(O)[C@@]3([H])CC[C@@]([H])(C)[C@@]3([H])[C@]1([H])C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15+/m1/s1

> <INCHI_KEY>
AYXPYQRXGNDJFU-IMNVLQEYSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.372

> <EXACT_MASS>
222.198365457

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
27.412845427056652

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1aS,1bS,2R,4aS,5S,7aR)-1,1,2,5-tetramethyl-decahydro-1H-cyclopropa[e]azulen-5-ol

> <JCHEM_LOGP>
3.1785024189999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5138122997029483

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
66.60000000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1aS,1bS,2R,4aS,5S,7aR)-1,1,2,5-tetramethyl-octahydro-1aH-cyclopropa[e]azulen-5-ol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015568

> <GENERIC_NAME>
Viridiflorol

$$$$