Mol:BMMCPYCTq012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 35  0  0  1  0  0  0  0  0999 V2000 
    2.9945    4.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5823    4.0216    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5768    4.1261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.1646    3.3171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.1591    3.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    4.7261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1756    3.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9836    5.0397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7579    2.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7469    2.6126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.9938   -2.0397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   11.1278   -2.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.1278   -3.5397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   11.9938   -4.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.8599   -3.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.8599   -2.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.2618   -2.0397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.9938   -5.0397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   11.9938   -1.0397    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   12.8029   -0.4519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   12.4938    0.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   11.4938    0.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   10.9061    1.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.8029   -0.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.0816    1.3082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.1848   -0.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9115    1.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.3238    2.0127    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5147    1.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1328    2.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7360    2.8217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7414    2.7172    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8460    1.7226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6369    3.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  5 10  1  0  0  0  0 
  4  9  1  1  0  0  0 
  3  8  1  6  0  0  0 
  2  7  1  1  0  0  0 
  1  6  1  0  0  0  0 
 22 26  1  6  0  0  0 
 22 21  1  0  0  0  0 
 19 26  1  6  0  0  0 
 21 20  1  0  0  0  0 
 19 20  1  0  0  0  0 
 22 23  1  0  0  0  0 
 20 24  1  1  0  0  0 
 21 25  1  1  0  0  0 
 19 11  1  0  0  0  0 
 31 28  1  0  0  0  0 
 28 27  1  0  0  0  0 
 28 30  2  0  0  0  0 
 28 29  1  0  0  0  0 
 27 23  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 11  1  0  0  0  0 
 11 16  1  0  0  0  0 
 16 15  2  0  0  0  0 
 15 14  1  0  0  0  0 
 14 13  2  0  0  0  0 
 12 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 10  1  0  0  0  0 
 32 33  2  0  0  0  0 
 32 34  1  0  0  0  0 
S  SKP  7 
ID	BMMCPYCTq012 
NAME	CDP-ribitol 
FORMULA	C14H25N3O15P2 
EXACTMASS	537.076 
AVERAGEMASS	537.307 
SMILES	OC[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00789 
M  END