Mol:BMCCPUXA0008

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BMCCPUXA0008.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  1  0  0  0  0  0999 V2000 
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    4.5981    2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.0000    3.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1933   -0.6243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.9854   -1.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    6.5727   -1.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9559   -3.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    8.2200   -1.1060    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0120   -2.0842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4279   -0.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.1981   -1.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
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 19 20  1  0  0  0  0 
 19 22  1  0  0  0  0 
  1  2  2  0  0  0  0 
 19 21  2  0  0  0  0 
S  SKP  7 
ID	BMCCPUXA0008 
NAME	dIMP 
FORMULA	C10H14N4O7P 
EXACTMASS	333.06 
AVERAGEMASS	333.2146 
SMILES	O[C@@H](C1)[C@@H](COP(O)(O)=O)O[C@H]1n(c3)c(n2)c(n3)c(O)nc2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06196 
M  END
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