Mol:BMCCPUXAg002

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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
 26 28  1  0  0  0  0
 26 27  2  0  0  0  0
 25 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  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	5'-Butanoyl-phospho-inosine
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

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