Mol:BMMCPD--g012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 13  0  0  0  0  0  0  0  0999 V2000 
    3.6092    1.8606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7431    1.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7431    0.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6092   -0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4752    0.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4752    1.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4067   -1.2220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4013   -1.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3412   -0.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3412    1.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0704   -1.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  4  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  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 
  5 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  4  9  1  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  9  8  1  0  0  0  0 
  9 12  2  0  0  0  0 
S  SKP  7 
ID	BMMCPD--g012 
NAME	4-Pyridoxo-lactone 
FORMULA	C8H7NO3 
EXACTMASS	165.0425 
AVERAGEMASS	165.1461 
SMILES	Cc(n2)c(O)c(C(=O)1)c(c2)CO1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00971 
M  END