Mol:BMSUM6Ai--01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 15  0  0  1  0  0  0  0  0999 V2000 
    3.7321    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.8660    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 14  6  1  0  0  0  0 
  5 11  1  6  0  0  0 
 11  1  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 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  1  7  1  4  0  0  0 
  2  8  1  1  0  0  0 
  3  9  1  6  0  0  0 
  4 10  1  1  0  0  0 
 14 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 15  2  0  0  0  0 
S  SKP  7 
ID	BMSUM6Ai--01 
NAME	6-Acetyl-D-glucose 
FORMULA	C8H14O7 
EXACTMASS	222.0739 
AVERAGEMASS	222.1925 
SMILES	CC(=O)OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C(O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02655 
M  END