Mol:BMCCPUXAg002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  1  0  0  0  0  0999 V2000 
   10.7606   -3.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.8946   -2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.8946   -1.5970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   10.7606   -1.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6266   -1.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6266   -2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3698   -0.9279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   11.9630   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.9685   -0.1188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   12.4927   -3.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.2994    0.6243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   10.5073    1.6025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.6413    2.1025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.8981    1.4333    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.9200    1.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.4208    2.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.5367    3.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3049    0.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2509    0.8981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6254    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6473    0.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9781    0.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9344   -0.3803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2946    1.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2727    1.1060    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0648    0.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4806    2.0842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  9  4  1  0  0  0  0 
 11  9  1  0  0  0  0 
  9  8  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  3  1  0  0  0  0 
 11 18  1  6  0  0  0 
 11 12  1  0  0  0  0 
  8  7  2  0  0  0  0 
  5  6  1  0  0  0  0 
  3  2  2  0  0  0  0 
 14 18  1  6  0  0  0 
 12 13  1  0  0  0  0 
 12 16  1  1  0  0  0 
  6  1  1  0  0  0  0 
  6 10  2  0  0  0  0 
 14 15  1  0  0  0  0 
 13 17  1  1  0  0  0 
 15 19  1  0  0  0  0 
 19 26  1  0  0  0  0 
 26 25  1  0  0  0  0 
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 20 21  1  0  0  0  0 
 20 24  2  0  0  0  0 
 21 22  1  0  0  0  0 
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  5  7  1  0  0  0  0 
  2  1  1  0  0  0  0 
 14 13  1  0  0  0  0 
S  SKP  7 
ID	BMCCPUXAg002 
NAME	[ [(2R,3S,4R,5R) -3,4-Dihydroxy-5- (6-oxo-3H-purin-9-yl) oxolan-2-yl] methoxy-hydroxyphosphoryl] butanoic acid 
958734-83-3 
FORMULA	C14H19N4O9P 
EXACTMASS	418.0889 
AVERAGEMASS	418.2959 
SMILES	CCCC(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06435 
M  END