-OEChem-01131113492D

 10 10  0     0  0  0  0  0  0999 V2000
    0.9276    1.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034   -0.9655    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6517    0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034   -1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  1   2   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
5841

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C02918

> <PUBCHEM_SUBSTANCE_COMMENT>
ChEBI: 16797
3DMET: B00512
NIKKAJI: J66.624F
Is a reactant or product of enzyme EC 1.2.3.1
Is a reactant or product of enzyme EC 2.1.1.1

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-Methylnicotinamide
C02918

> <PUBCHEM_XREF_EXT_ID>
C02918

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C02918

> <PUBCHEM_CID_ASSOCIATIONS>
457  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$