Mol:BMMCBZ2Pf043

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  0  0  0  0  0  0999 V2000 
    3.0000    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1340    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1340   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1340    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8660    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -1.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  6  5  2  0  0  0  0 
  4 10  1  0  0  0  0 
  5  4  1  0  0  0  0 
 10 11  2  0  0  0  0 
  4  3  2  0  0  0  0 
 10 13  2  0  0  0  0 
  3  2  1  0  0  0  0 
  7  9  1  0  0  0  0 
  2  1  2  0  0  0  0 
  7  8  2  0  0  0  0 
 10 12  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Pf043 
NAME	4-Sulfo-benzoic acid 
FORMULA	C7H6O5S 
EXACTMASS	201.9935 
AVERAGEMASS	202.1855 
SMILES	OC(=O)c(c1)ccc(c1)S(O)(=O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02236 
M  END