Mol:BMMCBZ4Sd001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10 10  0  0  0  0  0  0  0  0999 V2000 
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -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 
    4.5981   -0.5000    0.0000 C   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    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
  1  6  1  0  0  0  0 
  1  2  2  0  0  0  0 
  1  7  1  0  0  0  0 
  6  5  2  0  0  0  0 
  6 10  1  0  0  0  0 
  2  3  1  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 
  3  4  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ4Sd001 
NAME	2,4,6-Trichloro-phenol 
FORMULA	C6H3Cl3O 
EXACTMASS	195.9249 
AVERAGEMASS	197.4455 
SMILES	Oc(c(Cl)1)c(Cl)cc(Cl)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C07098 
M  END