Mol:BMCCPUXA0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  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 
    2.1229    0.9279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5296    0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5241    0.1188    0.0000 N   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 
    3.9854   -1.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8514   -2.1025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    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 
    4.9559   -3.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1878   -0.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    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 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  5  4  1  0  0  0  0 
 13 16  1  1  0  0  0 
 11 12  1  0  0  0  0 
 14 15  1  0  0  0  0 
 11 17  1  6  0  0  0 
 15 18  1  0  0  0  0 
  7  5  1  0  0  0  0 
  4  9  1  0  0  0  0 
  9  8  2  0  0  0  0 
  8  7  1  0  0  0  0 
 14 17  1  6  0  0  0 
  6 10  1  0  0  0  0 
 11  9  1  0  0  0  0 
 14 13  1  0  0  0  0 
 18 19  1  0  0  0  0 
 13 12  1  0  0  0  0 
 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