Mol:BMMCBZ3Sf040

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  0  0  0  0  0  0999 V2000 
    3.7321    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7321   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  5  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5  4  2  0  0  0  0 
  9 10  2  0  0  0  0 
  4  3  1  0  0  0  0 
  9 12  2  0  0  0  0 
  3  2  2  0  0  0  0 
  1  7  1  0  0  0  0 
  2  1  1  0  0  0  0 
  2  8  1  0  0  0  0 
  1  6  2  0  0  0  0 
  9 11  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sf040 
NAME	4-Sulfo-catechol 
FORMULA	C6H6O5S 
EXACTMASS	189.9935 
AVERAGEMASS	190.1748 
SMILES	Oc(c1)c(O)cc(c1)S(O)(=O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06674 
M  END