Mol:BMSUM6U0--01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  1  0  0  0  0  0999 V2000 
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8660   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660   -1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  9  1  1  0  0  0 
  4  5  1  0  0  0  0 
  4 10  1  1  0  0  0 
  5  6  1  0  0  0  0 
  6 12  1  0  0  0  0 
  5 11  1  6  0  0  0 
  2  1  1  0  0  0  0 
  1  7  2  0  0  0  0 
  1  8  1  0  0  0  0 
S  SKP  7 
ID	BMSUM6U0--01 
NAME	2-Deoxy-D-gluconic acid 
FORMULA	C6H12O6 
EXACTMASS	180.0633 
AVERAGEMASS	180.1558 
SMILES	OC[C@@H](O)[C@@H](O)[C@H](O)CC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02782 
M  END