6437247
 OpenBabel05082101102D

 37 38  0  0  1  0  0  0  0  0999 V2000
    2.5423   -0.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0058   -0.3007    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3785    0.2914    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6374    1.2573    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6638    0.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9008    2.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775   -0.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0363    0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1966   -1.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312   -0.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2740   -0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3994   -0.7552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2915    0.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3820   -1.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074   -2.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3966   -0.3284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6233    0.6374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4695    1.2278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781    0.4358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2186    2.7722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2876    2.3319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0638   -0.7674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5862    1.0348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5880   -1.4006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3149   -1.8909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8053   -1.1640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1204   -1.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8572   -1.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9114    0.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3023    1.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6716    0.7402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5838   -2.3413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944   -1.6581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2068   -1.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9651   -2.5405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079   -2.7822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 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 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6437247

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
303

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYIAAAAgAAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAICAAAAAgAFAIAAQAAUAAAgAAIEAMAgEAPgAAAAAAAAAAAAAAAAAAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-2-methyl-1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(E)-2-methyl-1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)-1-penten-3-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-2-methyl-1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-ol

>  <PUBCHEM_IUPAC_NAME>
(E)-2-methyl-1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-2-methyl-1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-2-methyl-1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H22O/c1-4-13(15)10(2)8-14(3)9-11-5-6-12(14)7-11/h5-6,8,11-13,15H,4,7,9H2,1-3H3/b10-8+

>  <PUBCHEM_IUPAC_INCHIKEY>
RZXAQFGBENAOAJ-CSKARUKUSA-N

>  <PUBCHEM_XLOGP3_AA>
3.8

>  <PUBCHEM_EXACT_MASS>
206.167065

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H22O

>  <PUBCHEM_MOLECULAR_WEIGHT>
206.32

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C(=CC1(CC2CC1C=C2)C)C)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(/C(=C/C1(CC2CC1C=C2)C)/C)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
206.167065

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

>  <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>
12  1  3
2  9  3
3  6  3
4  6  3

$$$$
