Mol:BMMCBZ2Pf042

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  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 
    3.0000   -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  2  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  3  2  0  0  0  0 
  4  9  1  0  0  0  0 
  3  4  1  0  0  0  0 
  9 10  2  0  0  0  0 
  4  5  2  0  0  0  0 
  9 12  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  7  8  2  0  0  0  0 
  9 11  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Pf042 
NAME	4-Sulfo-benzaldehyde 
FORMULA	C7H6O4S 
EXACTMASS	185.9986 
AVERAGEMASS	186.1861 
SMILES	O=Cc(c1)ccc(c1)S(O)(=O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06679 
M  END