519545
  -OEChem-04232404552D

 40 42  0     1  0  0  0  0  0999 V2000
    2.4079    1.2613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1705   -0.7073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2695   -0.2734    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0470    0.7015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6705    1.4834    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2774    0.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0345   -1.6920    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5844   -0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0715   -0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0562   -1.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6705    1.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3891    1.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1275    0.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2940    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7561   -2.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044    2.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6717   -0.1092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4015    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8474    0.2257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6852    0.9365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6202   -1.4885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1826   -0.5216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0727   -1.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2094   -0.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6915   -0.2734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4826   -2.1040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2299   -2.4638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9197    1.7752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1654    2.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838    0.8786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    0.0648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3712   -0.2616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8984    0.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3269   -2.8317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2035   -2.8136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1853   -1.9369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6630    2.1153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3734    2.9429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5458    2.6533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 14  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
519545

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
345

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAgAAAABAAYAACAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEgAAIAAOAwPAPgAAAAAAAAAAAAAAAAAAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl)methanol

> <PUBCHEM_IUPAC_CAS_NAME>
(2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl)methanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2,6,8-trimethyl-6-tricyclo[5.3.1.0<SUP>1,5</SUP>]undec-8-enyl)methanol

> <PUBCHEM_IUPAC_NAME>
(2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl)methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl)methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl)methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-10-6-7-15-8-12(10)14(3,9-16)13(15)5-4-11(15)2/h6,11-13,16H,4-5,7-9H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
PPTXKCYXNDLKTQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
220.182715385

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C13CC=C(C(C3)C2(C)CO)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2C13CC=C(C(C3)C2(C)CO)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.182715385

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
5

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  9  3
3  8  3
4  13  3
5  6  3
7  15  3

$$$$