Mol:BMSUM6Ae--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  0  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 
    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 
    6.3301   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -1.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6962   -1.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6962   -0.1340    0.0000 O   0  0  0  0  0  0  0  0  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 
  1 10  1  0  0  0  0 
  5 10  1  6  0  0  0 
 12 14  2  0  0  0  0 
  1  7  1  4  0  0  0 
 13 12  1  0  0  0  0 
  3  8  1  6  0  0  0 
  4  9  1  1  0  0  0 
 12 15  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  4  1  0  0  0  0 
  6 11  1  0  0  0  0 
 12 11  1  0  0  0  0 
S  SKP  7 
ID	BMSUM6Ae--01 
NAME	2-Deoxy-D-glucose 6-phosphate 
FORMULA	C6H13O8P 
EXACTMASS	244.0348 
AVERAGEMASS	244.1363 
SMILES	OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06369 
M  END