Mol:BMSUM6K0--08

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  1  0  0  0  0  0999 V2000 
    4.2321    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.0670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.8660    0.5670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8660   -0.4330    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.7321   -0.9330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2321    1.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2321    1.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  7  1  1  0  0  0  0 
  2 12  1  0  0  0  0 
 12  6  1  0  0  0  0 
  6  5  1  0  0  0  0 
  5  4  1  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 
  5 11  1  6  0  0  0 
  4 10  1  1  0  0  0 
  3  9  1  6  0  0  0 
  2  8  1  4  0  0  0 
S  SKP  7 
ID	BMSUM6K0--08 
NAME	L-Sorbose 
FORMULA	C6H12O6 
EXACTMASS	180.0633 
AVERAGEMASS	180.1558 
SMILES	OCC(O)(O1)[C@@H](O)[C@H](O)[C@@H](O)C1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00247 
M  END