Mol:BMCCPUXAf005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10 11  0  0  0  0  0  0  0  0999 V2000 
    4.4752    1.0413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6092    1.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7431    1.0413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7431    0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6092   -0.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4752    0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4013   -1.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4067   -1.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.6278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3412   -0.4587    0.0000 S   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 
  5  6  1  0  0  0  0 
  5  4  2  0  0  0  0 
  9  8  1  0  0  0  0 
  8  7  2  0  0  0  0 
  7  5  1  0  0  0  0 
  4  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
S  SKP  7 
ID	BMCCPUXAf005 
NAME	6-Mercapto-purine 
FORMULA	C5H4N4S 
EXACTMASS	152.0156 
AVERAGEMASS	152.1782 
SMILES	Sc(n2)c(n1)c(nc2)nc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02380 
M  END