Mol:BMMCPD--e032

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  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 
    6.3301    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -0.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6962   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6962    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  4  2  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  2  0  0  0  0 
  1  6  1  0  0  0  0 
  6  5  2  0  0  0  0 
  5  4  1  0  0  0  0 
  4  8  1  0  0  0  0 
  8 11  1  0  0  0  0 
  5  9  1  0  0  0  0 
  9 12  1  0  0  0  0 
  3 10  1  0  0  0  0 
  2  7  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 13 16  1  0  0  0  0 
 13 15  1  0  0  0  0 
S  SKP  7 
ID	BMMCPD--e032 
NAME	Pyridoxine 5'-phosphate 
FORMULA	C8H12NO6P 
EXACTMASS	249.0402 
AVERAGEMASS	249.1577 
SMILES	OCc(c(O)1)c(cnc(C)1)COP(O)(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00627 
M  END