Mol:BMSUM6K0--09

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  1  0  0  0  0  0999 V2000 
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.8660   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.5000    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 
  1  7  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  9  1  4  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4 10  1  4  0  0  0 
  5  6  1  0  0  0  0 
  6 12  1  0  0  0  0 
  5 11  1  4  0  0  0 
  2  8  2  0  0  0  0 
S  SKP  7 
ID	BMSUM6K0--09 
NAME	Sorbose 
FORMULA	C6H12O6 
EXACTMASS	180.0633 
AVERAGEMASS	180.1558 
SMILES	OCC(O)C(O)C(O)C(=O)CO 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01452 
M  END