Mol:BMSUM6A0--07

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  1  0  0  0  0  0999 V2000 
    4.3660    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.5000    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.5000   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.3660   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.2321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3660    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6340   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2321    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5 12  1  0  0  0  0 
 12  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  2  9  1  6  0  0  0 
  3 10  1  1  0  0  0 
  4 11  1  1  0  0  0 
  2  6  1  1  0  0  0 
  6  8  1  0  0  0  0 
  1  7  1  4  0  0  0 
S  SKP  7 
ID	BMSUM6A0--07 
NAME	D-Hamamelose 
FORMULA	C6H12O6 
EXACTMASS	180.0633 
AVERAGEMASS	180.1558 
SMILES	OC[C@](O)(C(O)1)[C@H](O)[C@H](O)CO1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01906 
M  END