-OEChem-10201113253D

 28 31  0     1  0  0  0  0  0999 V2000
    4.7370    4.3670   22.7320 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7150    5.2600   23.6020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760    0.2100   24.0080 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1910    0.6660   25.7770 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    3.0780   20.7580 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4180    2.1860   20.9490 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9790    4.1680   20.8050 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6450    2.7240   20.2410 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2770    4.7910   20.0420 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4740    4.4930   21.3390 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1310    2.1930   21.5260 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7220    5.0860   20.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    3.8130   20.2750 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9450    0.7590   20.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9170    1.8200   20.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4660    0.7390   21.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6580    6.1560   20.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1840    2.3920   19.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5920    2.5660   21.4330 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7870    3.1630   19.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9570    3.8300   21.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9550    4.9190   18.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3170    5.2560   22.2360 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0370    6.2160   22.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7550    1.5510   22.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1560    3.9380   21.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9530    1.6280   23.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010    0.7910   24.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 23  1  0  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 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 19  1  0  0  0  0
 13 18  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 17 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  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>
7887027

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
SMID

> <PUBCHEM_EXT_DATASOURCE_REGID>
DHO

> <PUBCHEM_SUBSTANCE_SYNONYM>
DEOXYCHOLIC ACID
DHO

> <PUBCHEM_XREF_EXT_ID>
DHO

> <PUBCHEM_NCBI_MMDB_ID>
21333

> <PUBCHEM_EXT_DATASOURCE_URL>
http://smid.blueprint.org/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://smid.blueprint.org/SMInfo.php?hetname=DHO

> <PUBCHEM_CID_ASSOCIATIONS>
222528  1

> <PUBCHEM_CONFORMER_ID>
007858B300010001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$