Mol:BMMCBZ2Pd057

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 14  0  0  0  0  0  0  0  0999 V2000 
    2.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -3.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  1  0  0  0  0 
  1 11  1  0  0  0  0 
  1 12  2  0  0  0  0 
  2  1  1  0  0  0  0 
  2 13  2  0  0  0  0 
  3  4  1  0  0  0  0 
  6  5  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
  8 14  1  0  0  0  0 
  5  4  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Pd057 
NAME	S-(4-Bromo-phenyl)-mercapto-pyruvic acid 
FORMULA	C9H7BrO3S 
EXACTMASS	273.9299 
AVERAGEMASS	275.12 
SMILES	OC(=O)C(=O)CSc(c1)ccc(Br)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04264 
M  END