Mol:BMMCBZ4Sd007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10 10  0  0  0  0  0  0  0  0999 V2000 
    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   -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 
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.5000    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 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  2  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 
  2  8  1  0  0  0  0 
  5  4  1  0  0  0  0 
  4  9  1  0  0  0  0 
  4  3  2  0  0  0  0 
  6 10  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ4Sd007 
NAME	6-Chloro-benzene-1,2,4-triol 
FORMULA	C6H5ClO3 
EXACTMASS	159.9927 
AVERAGEMASS	160.5548 
SMILES	Oc(c1)cc(Cl)c(O)c(O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06328 
M  END