-OEChem-05171211432D

 36 39  0     1  0  0  0  0  0999 V2000
    6.0176    5.8246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0176    6.6492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8422    5.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0176    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3164    8.3151    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6171    7.9186    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3164    9.1228    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8866    8.3151    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1007    9.3790    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1721    7.9186    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1007    8.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6171    9.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8866    9.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6171    7.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1721    7.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5668    8.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1007   10.2260    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8866    6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3164    9.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4727    8.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1721    8.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4727    6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7505    7.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7505    7.0799    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8149   10.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3867   10.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5290   10.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2431   10.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9572   10.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9572    9.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6713   10.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3164    7.4837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6171    8.7433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8866    7.4901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8235    9.7833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
 25  2  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 33  1  6  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 34  1  1  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  1  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 35  1  6  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 36  1  6  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  1  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 16 23  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  6  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
85300926

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
LipidMAPS

> <PUBCHEM_EXT_DATASOURCE_REGID>
LMST05020016

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHOLEST-5-EN-3-YL HYDROGEN SULFATE
LMST05020016
cholest-5-en-3beta-yl hydrogen sulfate
cholesterol sulfate
cholesteryl sulfate

> <PUBCHEM_XREF_EXT_ID>
LMST05020016

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.lipidmaps.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.lipidmaps.org/data/LMSDRecord.php?LM_ID=LMST05020016

> <PUBCHEM_CID_ASSOCIATIONS>
65076  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
10  36  6
11  22  5
18  27  6
25  2  5
6  33  6
7  34  5
8  20  5
9  35  6

$$$$