6437266
 OpenBabel05082101102D

 39 39  0  0  1  0  0  0  0  0999 V2000
    3.1590   -1.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9895    1.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1805    1.0018    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4895    0.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7985    1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    0.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5773    2.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4017    2.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294    1.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7496    1.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.3365    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9511   -1.0056    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6453   -0.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0835    1.6142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831   -0.0782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5543   -0.5659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8539   -0.4508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0789    2.0342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417    2.9002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0757    2.7630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9033    2.7630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.9002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9001    2.0342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1005    1.9173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9412    0.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392    1.5024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5580    1.9005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966    0.8333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8231   -0.9429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903   -1.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4537   -1.2351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2349   -0.8371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8368   -0.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -0.1069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.5050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.2862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6982   -2.3986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  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
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6437266

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
273

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAICAAAAAgAEAIAAQAAQAAAwAAIAAMAAAAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(Z)-3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)-4-penten-2-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol

>  <PUBCHEM_IUPAC_NAME>
(Z)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,12-13,15H,9H2,1-5H3/b8-6-

>  <PUBCHEM_IUPAC_INCHIKEY>
RNLHVODSMDJCBR-VURMDHGXSA-N

>  <PUBCHEM_XLOGP3_AA>
3.3

>  <PUBCHEM_EXACT_MASS>
208.182715

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H24O

>  <PUBCHEM_MOLECULAR_WEIGHT>
208.34

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(C1(C)C)C=CC(C)C(C)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC(C1(C)C)/C=C\C(C)C(C)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
208.182715

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

>  <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>
13  1  3
12  14  3
3  9  3

$$$$
