-OEChem-08271216092D

 29 32  0     1  0  0  0  0  0999 V2000
   25.6200  -20.5100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   30.4079  -16.3196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4300  -17.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.4080  -14.7098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8600  -21.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7792  -15.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0000  -19.1100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   26.8100  -19.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.6200  -19.1100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.0000  -17.7100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   29.2124  -17.0100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.4300  -19.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.6200  -17.7100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   26.8100  -17.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4249  -19.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8100  -21.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4300  -21.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4249  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2124  -15.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0000  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6200  -21.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1700  -19.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4300  -18.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1700  -21.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9800  -19.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9800  -21.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9832  -14.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0000  -20.5100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8100  -18.4100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  6  0  0  0
 11  2  1  6  0  0  0
 13  3  1  1  0  0  0
  4 19  2  0  0  0  0
  5 26  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 28  1  6  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 29  1  1  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  1  0  0  0
 11 18  1  0  0  0  0
 11 19  1  1  0  0  0
 12 17  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 21  1  0  0  0  0
 17 21  1  0  0  0  0
 17 24  2  0  0  0  0
 19 27  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
9217

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C07004

> <PUBCHEM_SUBSTANCE_COMMENT>
Same as: <a href="http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=96024662">D07967</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
127-31-1
C07004
Fludrocortisone

> <PUBCHEM_GENERIC_REGISTRY_NAME>
127-31-1

> <PUBCHEM_XREF_EXT_ID>
C07004

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C07004

> <PUBCHEM_CID_ASSOCIATIONS>
31378  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
9  1  6
10  20  5
11  19  5
12  23  5
11  2  6
13  3  5
7  28  6
8  29  5

$$$$