-OEChem-02281210092D

 18 19  0     1  0  0  0  0  0999 V2000
   26.6000  -15.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7700  -15.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7900  -19.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1500  -17.2200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1500  -20.0200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7700  -20.0200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5100  -17.9200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3200  -20.0200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4100  -17.9200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.9600  -17.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9600  -19.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6000  -17.2200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.7700  -17.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4100  -19.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5100  -19.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7900  -17.9200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   29.0500  -17.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4100  -16.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
  2 13  2  0  0  0  0
 16  3  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  6  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
96025190

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
D08505

> <PUBCHEM_SUBSTANCE_COMMENT>
Activity: Drug for metabolic disease treatment
ATC code: A16AX07

> <PUBCHEM_SUBSTANCE_SYNONYM>
62989-33-7
D08505
Sapropterin (INN)

> <PUBCHEM_GENERIC_REGISTRY_NAME>
62989-33-7

> <PUBCHEM_XREF_EXT_ID>
D08505

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?dr:D08505

> <PUBCHEM_CID_ASSOCIATIONS>
44257  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
12  1  5
16  3  6
9  18  6

$$$$