Mol:BMFYB3KTf001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  0  0  0  0  0  0999 V2000 
    3.7321   -0.1830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.8170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9641    0.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    2.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9641    2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4 10  1  0  0  0  0 
  4 11  2  0  0  0  0 
  4  9  2  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  1  0  0  0  0 
  7  6  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6  5  1  0  0  0  0 
S  SKP  7 
ID	BMFYB3KTf001 
NAME	2- (2-Oxopropylsulfanyl) ethanesulfonic acid 
CAS_RN	244301-88-0 
FORMULA	C5H10O4S2 
EXACTMASS	198.002 
AVERAGEMASS	198.2625 
SMILES	CC(=O)CSCCS(O)(=O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C11497 
M  END