View source for Mol:BMCCPUXA0021

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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
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