Mol:BMMCPD--k016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  0  0  0  0  0  0999 V2000 
    3.7321    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  1  1  0  0  0  0 
  6  5  2  0  0  0  0 
  5  4  1  0  0  0  0 
  4  3  2  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  2  0  0  0  0 
  3 10  1  0  0  0  0 
  4  8  1  0  0  0  0 
  8 11  1  0  0  0  0 
  2  7  1  0  0  0  0 
  9 12  1  0  0  0  0 
  9 13  2  0  0  0  0 
  5  9  1  0  0  0  0 
S  SKP  7 
ID	BMMCPD--k016 
NAME	5-Pyridoxic acid 
FORMULA	C8H9NO4 
EXACTMASS	183.0531 
AVERAGEMASS	183.1614 
SMILES	OCc(c(O)1)c(cnc(C)1)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04773 
M  END