5311070
  -OEChem-04252408572D

 37 40  0     1  0  0  0  0  0999 V2000
    2.8096   -1.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6129   -2.9596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.7371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.7371    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6660    1.2371    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4421    1.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    0.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    0.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480   -0.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6980   -0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5564   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813   -1.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -1.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2649    2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9267    0.8177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0537    1.1288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6466    1.8155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6636   -0.3934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0601    0.2994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    3.0471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646    3.7120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675    3.7120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1672   -0.0048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0945   -1.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.8917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.4042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    3.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024   -2.5198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486   -3.2717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 36  1  0  0  0  0
  2 18  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  6  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  1  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 30  1  0  0  0  0
 14 19  1  0  0  0  0
 14 31  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 16 20  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5311070

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
361

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAADxQAAAHgAQCAAADSzBmAQwBoLAAgCAAiBCAACCAAAgIAAIiIAOjIgJJiKCkROEcAlk0BGJmAeQ0PMOoAABAAAQQABQAAaAACSAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6aS,12bR)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol

> <PUBCHEM_IUPAC_CAS_NAME>
(6aS,12bR)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(6<I>a</I><I>S</I>,12<I>b</I><I>R</I>)-5,6,6<I>a</I>,7,8,12<I>b</I>-hexahydrobenzo[a]phenanthridine-10,11-diol

> <PUBCHEM_IUPAC_NAME>
(6aS,12bR)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6aS,12bR)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6aS,12bR)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BGOQGUHWXBGXJW-YOEHRIQHSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
267.125928785

> <PUBCHEM_MOLECULAR_FORMULA>
C17H17NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
267.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2=CC(=C(C=C2C3C1NCC4=CC=CC=C34)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2=CC(=C(C=C2[C@H]3[C@H]1NCC4=CC=CC=C34)O)O

> <PUBCHEM_CACTVS_TPSA>
52.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
267.125928785

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
10  15  8
12  16  8
13  17  8
14  19  8
15  18  8
16  20  8
17  18  8
19  20  8
4  21  6
5  22  5
7  10  8
7  13  8
8  12  8
8  14  8

$$$$