8283
 OpenBabel05082101102D

 40 42  0  0  1  0  0  0  0  0999 V2000
    5.8205   -2.7384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5739    1.9255    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    1.5055    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3886    2.6986    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2246    1.7629    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0843    2.0882    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3827    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827    2.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8211    3.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0904    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9331    2.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0899    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9557   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210   -1.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0890   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    1.2113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    3.1750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031    2.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1480    0.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240    0.8247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9117    3.1552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754    3.4162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4266    2.9154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9543    3.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2156    3.1819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7009    1.1545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3027    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4214    2.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3150    3.1572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4447    3.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4794    0.3704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8776   -0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4928    0.0718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4315   -1.8463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0333   -1.1558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -1.2004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5519   -2.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3987   -2.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3573   -3.0486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  3  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  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>
8283

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
331

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAGAAAAYMGAAAAAAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAAgAAIEAMAgMAPgAAAAAAAAACAAAQAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methyl-pent-2-en-1-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methyl-2-penten-1-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
5-(2,3-dimethyl-3-tricyclo[2.2.1.0<SUP>2,6</SUP>]heptanyl)-2-methylpent-2-en-1-ol

>  <PUBCHEM_IUPAC_NAME>
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-en-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methyl-pent-2-en-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methyl-pent-2-en-1-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
PDEQKAVEYSOLJX-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
4

>  <PUBCHEM_EXACT_MASS>
220.182715

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

>  <PUBCHEM_MOLECULAR_WEIGHT>
220.35

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC1(C2CC3C1(C3C2)C)C)CO

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCCC1(C2CC3C1(C3C2)C)C)CO

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.182715

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
13  14  1
3  7  3
4  8  3
5  11  3

$$$$
