15559232
  -OEChem-10112120512D

 34 36  0     1  0  0  0  0  0999 V2000
    2.5836    0.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    1.6345    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3958    0.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2778    2.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719    0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5080    2.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -1.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2729   -2.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3738    2.2545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6751    2.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8769    2.6352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7899    1.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3935    2.2235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3764    0.0146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7835    0.7012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8118    2.6649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676    2.4282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2043    1.5840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -2.0270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8179   -1.9439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.7170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4379   -0.8701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6836   -1.9696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0803   -2.7516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8623   -2.3549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  1  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15559232

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
262

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAEjB8AAAGgAAAAAADQSgmAIyBsAABECIAqhSgAACCAAkIAAAiAEECMgMJjKENRqCOSCkwBEIqYeIyPCO4AADAAAYAADAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(9S)-3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g]benzofuran

> <PUBCHEM_IUPAC_CAS_NAME>
(9S)-3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g]benzofuran

> <PUBCHEM_IUPAC_NAME_MARKUP>
(9<I>S</I>)-3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran

> <PUBCHEM_IUPAC_NAME>
(9S)-3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(9S)-3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(9S)-3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g]benzofuran

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H18O/c1-9-5-4-6-12-10(2)7-13-11(3)8-16-15(13)14(9)12/h7-9H,4-6H2,1-3H3/t9-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LBXSOZAXYXJJLL-VIFPVBQESA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
214.135765193

> <PUBCHEM_MOLECULAR_FORMULA>
C15H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
214.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCCC2=C1C3=C(C=C2C)C(=CO3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CCCC2=C1C3=C(C=C2C)C(=CO3)C

> <PUBCHEM_CACTVS_TPSA>
13.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
214.135765193

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
1  15  8
1  8  8
11  12  8
11  13  8
13  15  8
2  10  5
3  5  8
3  8  8
5  9  8
8  11  8
9  12  8

$$$$
