-OEChem-09021010382D

 12 12  0     1  0  0  0  0  0999 V2000
   28.7000  -15.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.3000  -15.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   35.2100  -19.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.4000  -17.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1200  -17.0800    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.0000  -17.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3100  -17.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8800  -17.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5700  -17.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7600  -17.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9500  -17.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2100  -17.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
3547

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00248

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 940-69-2
ChEBI: 17460
NIKKAJI: J25.390A
Same as: D00048
Is a reactant or product of enzyme EC 1.8.1.4

> <PUBCHEM_SUBSTANCE_SYNONYM>
940-69-2
C00248
Lipoamide
Thioctic acid amide

> <PUBCHEM_GENERIC_REGISTRY_NAME>
940-69-2

> <PUBCHEM_XREF_EXT_ID>
C00248

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00248

> <PUBCHEM_CID_ASSOCIATIONS>
863  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$