-OEChem-10201113252D

 33 36  0     1  0  0  0  0  0999 V2000
    5.5539   -5.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -8.8163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8454   -4.9457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6249   -3.5820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3932   -7.1891    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6685   -7.6072    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3932   -6.3983    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9637   -7.1891    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2589   -7.6072    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1638   -6.1548    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6685   -5.9800    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2589   -8.3979    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9637   -6.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1638   -7.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6685   -8.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6251   -6.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9637   -8.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4476   -5.3641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5570   -7.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2444   -5.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5570   -8.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2016   -6.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8293   -8.3979    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8522   -7.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2411   -5.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9203   -4.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5276   -4.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3411   -4.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3932   -8.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -6.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9637   -8.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -6.1542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2589   -9.2346    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  6  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>
24893692

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
D2510_SIGMA

> <PUBCHEM_SUBSTANCE_SYNONYM>
3alpha,12alpha-Dihydroxy-5beta-cholanic acid
7-Deoxycholic acid
D2510_SIGMA
Deoxycholic acid
Desoxycholic acid

> <PUBCHEM_XREF_EXT_ID>
D2510_SIGMA

> <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/SIGMA/D2510?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
222528  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

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

$$$$