Mol:BMMCPD--k021

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  9  9  0  0  0  0  0  0  0  0999 V2000 
    4.5981    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  6  2  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  3  7  1  0  0  0  0 
S  SKP  7 
ID	BMMCPD--k021 
NAME	Nicotinic acid 
FORMULA	C6H5NO2 
EXACTMASS	123.032 
AVERAGEMASS	123.1094 
SMILES	OC(=O)c(c1)cncc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00253 
M  END