-OEChem-03311014132D

 31 34  0     1  0  0  0  0  0999 V2000
    5.4857   -2.6283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3434   -5.9283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1975   -1.3548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8274   -2.6872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9072   -4.4408    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1875   -3.6941    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2695   -4.8109    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5447   -4.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1863   -4.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8980   -3.4646    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2695   -5.5587    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5447   -3.3209    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9072   -3.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8960   -4.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5447   -5.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3360   -4.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9072   -5.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6279   -4.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9006   -2.5729    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6279   -5.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1722   -2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2695   -3.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884   -5.5587    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9884   -4.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3314   -2.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2706   -2.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7624   -2.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1975   -2.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951   -5.1844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -3.2667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2695   -6.2535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  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  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 29  1  6  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  1  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 22  1  1  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 19  1  0  0  0  0
 10 30  1  6  0  0  0
 11 17  1  0  0  0  0
 11 20  1  0  0  0  0
 11 31  1  1  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  6  0  0  0
 20 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>
24855723

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
260142_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
260142_ALDRICH
3alpha,12alpha-Dihydroxy-5beta,8(14)-cholen-24-oic acid
3alpha,12alpha-Dihydroxy-5beta-chol-8(14)en-24-oic acid
5beta,8(14)-Cholen-24-oic acid-3alpha,12alpha-diol
Apocholic acid

> <PUBCHEM_XREF_EXT_ID>
260142_ALDRICH

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/260142?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
101818  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
12  1  6
10  30  6
11  31  5
19  26  6
23  2  6
5  29  6
6  21  5
7  22  5

$$$$