Mol:BMFYS6DAf006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  0  0  0  0  0  0999 V2000 
    6.3301    1.5000    0.0000 C   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   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  9 12  2  0  0  0  0 
  6  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
  5  4  2  0  0  0  0 
  6 14  1  0  0  0  0 
  3  9  1  0  0  0  0 
  2  1  1  0  0  0  0 
  4  3  1  0  0  0  0 
  1  8  1  0  0  0  0 
  9 10  2  0  0  0  0 
  1  7  2  0  0  0  0 
  3  2  2  0  0  0  0 
  6 13  2  0  0  0  0 
S  SKP  7 
ID	BMFYS6DAf006 
NAME	3-Sulfo-muconic acid 
FORMULA	C6H6O7S 
EXACTMASS	221.9834 
AVERAGEMASS	222.1736 
SMILES	OC(=O)C=CC(=CC(O)=O)S(O)(=O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06675 
M  END