-OEChem-03101014062D

 13 13  0     0  0  0  0  0  0999 V2000
   -2.6051   -2.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8547   -0.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7547   -3.6407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4251   -2.0907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1748    2.8607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5151    0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5151   -1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1748    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8547    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647   -1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7547   -2.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8547    2.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5147    3.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 11  2  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24897709

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
N4751_SIGMA

> <PUBCHEM_SUBSTANCE_SYNONYM>
N4751_SIGMA
Nicotinuric acid
Nicotinylglycine

> <PUBCHEM_XREF_EXT_ID>
N4751_SIGMA

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/SIGMA/N4751?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
68499  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$