-OEChem-10201113252D

 33 36  0     1  0  0  0  0  0999 V2000
    6.3475   -2.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9348   -7.7112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9757    1.2305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5360   -0.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4300   -5.2112    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3475   -5.8362    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4300   -3.9612    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2649   -5.2112    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1824   -5.8362    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6175   -3.5737    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3475   -3.3362    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1824   -7.0862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2649   -3.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6188   -5.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3475   -7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3536   -4.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2649   -7.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0051   -2.3861    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0999   -5.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4300   -2.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999   -7.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1824   -4.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0173   -7.0862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0173   -5.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1212   -1.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2278   -2.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4447   -0.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6521    0.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4300   -6.4612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3475   -4.5862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2649   -6.4612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9508   -3.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1824   -8.3362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  6  0  0  0
 23  2  1  6  0  0  0
  3 28  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 29  1  6  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 30  1  1  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  1  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 31  1  6  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
  9 22  1  1  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 10 32  1  6  0  0  0
 11 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 21  1  0  0  0  0
 12 33  1  1  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  1  0  0  0
 19 24  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
3884027

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
115349149

> <PUBCHEM_SUBSTANCE_SYNONYM>
(3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid
115349-14-9
3-Hydroxy-polydeoxycholic acid
3alpha-Hydroxy-polydeoxycholate
Cholan-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-, homopolymer

> <PUBCHEM_GENERIC_REGISTRY_NAME>
115349-14-9

> <PUBCHEM_XREF_EXT_ID>
115349149

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=115349149

> <PUBCHEM_CID_ASSOCIATIONS>
222528  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
11  1  6
10  32  6
12  33  5
18  26  5
23  2  6
5  29  6
6  30  5
7  20  5
8  31  6
9  22  5

$$$$