Mol:BMSUM5Ae--01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 17  0  0  1  0  0  0  0  0999 V2000 
    4.5768    0.4199    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    4.2678   -0.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0768   -1.1189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.8858   -0.5311    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.8369   -0.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9890    1.2289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9945    1.1244    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0991    0.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8900    2.1189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0768   -2.1189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5768    0.4199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5800   -0.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5311   -0.4800    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    8.2221   -1.4311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4822   -0.7891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8401    0.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1 12  1  0  0  0  0 
  4 12  1  6  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  4  5  1  0  0  0  0 
  1  6  1  4  0  0  0 
  3 11  1  1  0  0  0 
  5 13  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 10  1  0  0  0  0 
  7  9  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 14 17  1  0  0  0  0 
 14 16  2  0  0  0  0 
S  SKP  7 
ID	BMSUM5Ae--01 
NAME	2-Deoxy-D-ribose 1,5-bisphosphate 
FORMULA	C5H12O10P2 
EXACTMASS	293.9905 
AVERAGEMASS	294.0903 
SMILES	O[C@@H](C1)[C@H](OC1OP(O)(O)=O)COP(O)(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04175 
M  END