6714004
  -OEChem-05132418232D

 34 36  0     1  0  0  0  0  0999 V2000
    2.4166    0.2109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5331   -0.7002    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.4213    0.8372    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.9213   -0.7016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7304   -0.1138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2310   -1.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1123   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -1.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213    0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1123   -1.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4846   -0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0969   -0.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0091    1.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7364    1.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3940    0.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7158    1.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2324    0.2499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6248   -1.7764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2967   -2.2628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1604   -2.2620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8315   -1.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7479   -0.7878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6107   -1.6538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4767   -1.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6752   -0.9828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0746   -0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2941    0.1971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9122   -0.9379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5107    1.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3735    2.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5075    2.0107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9348    2.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3028    1.8756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 34  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  6  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 15  2  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 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6714004

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
296

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAWAFgBAAAAHgAACAAADgzBmAQzxoMAAgCAAiRCQACCAAAhIgAIiAAObIiIJiLCkZOEcAhswBPI2Cew0PIPgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(8<I>b</I><I>S</I>)-3,4,8<I>b</I>-trimethyl-2,3<I>a</I>-dihydro-1<I>H</I>-pyrrolo[2,3-b]indol-7-ol

> <PUBCHEM_IUPAC_NAME>
(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrol[2,3-b]indol-7-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H18N2O/c1-13-6-7-14(2)12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12?,13-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HKGWQUVGHPDEBZ-ABLWVSNPSA-N

> <PUBCHEM_XLOGP3>
0.8

> <PUBCHEM_EXACT_MASS>
218.141913202

> <PUBCHEM_MOLECULAR_FORMULA>
C13H18N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
218.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCN(C1N(C3=C2C=C(C=C3)O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]12CCN(C1N(C3=C2C=C(C=C3)O)C)C

> <PUBCHEM_CACTVS_TPSA>
26.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.141913202

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
12  15  8
14  16  8
15  16  8
5  3  3
4  10  6
7  12  8
7  9  8
9  14  8

$$$$