Mol:BMCCPUXA0021

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 12  0  0  0  0  0  0  0  0999 V2000 
    0.0000    1.2716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    0.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    0.0341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -0.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145    0.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145    0.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3276   -0.5179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9920   -1.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1716   -1.1854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4290    1.2716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4290    1.2716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  6  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6 11  2  0  0  0  0 
  2 10  2  0  0  0  0 
  4  5  2  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  5  7  1  0  0  0  0 
S  SKP  7 
ID	BMCCPUXA0021 
NAME	Xanthine 
FORMULA	C5H4N4O2 
EXACTMASS	152.0334 
AVERAGEMASS	152.111 
SMILES	O=C(N1)Nc(n2)c(nc2)C(=O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00385 
M  END