Mol:BMCCPUXA0023

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  1  0  0  0  0  0999 V2000 
    3.7321    3.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5296    0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    5.4641    3.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    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 
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    5.5945   -1.4333    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.5727   -1.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0718   -2.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    7.2418   -0.8981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    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 
    9.8672   -0.5708    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6104   -1.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.1241    0.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.5364    0.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 13 12  1  0  0  0  0 
 12 19  1  6  0  0  0 
 15 19  1  6  0  0  0 
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 13 17  1  1  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 
  5  4  2  0  0  0  0 
  4  9  1  0  0  0  0 
  9  8  1  0  0  0  0 
  8  7  2  0  0  0  0 
  7  5  1  0  0  0  0 
  6 11  2  0  0  0  0 
  2 10  2  0  0  0  0 
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 21 22  1  0  0  0  0 
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 25 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 25 28  2  0  0  0  0 
S  SKP  7 
ID	BMCCPUXA0023 
NAME	XDP 
FORMULA	C10H14N4O12P2 
EXACTMASS	444.0083 
AVERAGEMASS	444.1854 
SMILES	O=C(N3)Nc(c2C(=O)3)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01337 
M  END