Mol:BMSUM6Ue--08

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 16  0  0  1  0  0  0  0  0999 V2000 
    5.5981    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5981    2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.7321    1.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.7321    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.8660   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8660    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5981   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -2.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  2  9  1  6  0  0  0 
  1  8  1  0  0  0  0 
  1  7  2  0  0  0  0 
  2  1  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 
  3 10  1  6  0  0  0 
  4 11  1  6  0  0  0 
  5 12  1  1  0  0  0 
  6 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 14 16  2  0  0  0  0 
 14 17  1  0  0  0  0 
S  SKP  7 
ID	BMSUM6Ue--08 
NAME	6-Phospho-D-gluconic acid 
FORMULA	C6H13O10P 
EXACTMASS	276.0246 
AVERAGEMASS	276.1351 
SMILES	OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00345 
M  END