Mol:BMFYS2HOf004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  7  6  0  0  0  0  0  0  0  0999 V2000 
    0.5083   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1579   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8074   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5542   -1.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3042   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5521   -0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5530   -2.1750    0.0000 O   0  0  0  0  0  0  0  0  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  2  0  0  0  0 
  4  6  1  0  0  0  0 
  4  7  2  0  0  0  0 
S  SKP  7 
ID	BMFYS2HOf004 
NAME	Isethionic acid 
FORMULA	C2H6O4S 
EXACTMASS	125.9986 
AVERAGEMASS	126.1326 
SMILES	OCCS(O)(=O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05123 
M  END