Mol:BMCCPUXAf019

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BMCCPUXAf019.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 10 11  0  0  1  0  0  0  0  0999 V2000
    4.7500    1.6105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0263    2.8737   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2632    3.1237   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2632    1.7816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4737    2.8737   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4737    2.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    3.2947   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    2.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0263    2.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    4.1368   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  3  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  7 10  2  0  0  0  0
  9  1  1  0  0  0  0
S  SKP  7
ID	BMCCPUXAf019
NAME	Thiopurine
FORMULA	C5H4N4S
EXACTMASS	152.0156669
AVERAGEMASS	152.1782
SMILES	[nH]1c2nc[nH]c2c(nc1)=S
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01756
M  END

</pre>

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