Mol:BMMCACCHp012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  1  0  0  0  0  0999 V2000 
    3.7321    1.0000    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 
    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  2  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 C   0  0  2  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 
    5.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  1  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 
  1  7  2  0  0  0  0 
  2  8  1  6  0  0  0 
  3  9  1  6  0  0  0 
  5 11  1  6  0  0  0 
  4 10  1  1  0  0  0 
  6 13  1  1  0  0  0 
 11 12  1  0  0  0  0 
S  SKP  7 
ID	BMMCACCHp012 
NAME	(2R,3R,4R,5S,6R) -2,3,4,6-Tetrahydroxy-5-methoxycyclohexan-1-one 
CAS_RN	909261-88-7 
FORMULA	C7H12O6 
EXACTMASS	192.0633 
AVERAGEMASS	192.1665 
SMILES	CO[C@H]([C@@H](O)1)[C@H](O)C(=O)[C@@H](O)[C@@H](O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01295 
M  END