Mol:BMMCAS--d002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 18  0  0  0  0  0  0  0  0999 V2000 
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.4641    0.0000    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   -1.5000    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 
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5000    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 
    3.7321    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.5000    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 
    6.3301    2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  3  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
  9  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  6 16  1  0  0  0  0 
  2  1  1  0  0  0  0 
  3  4  2  0  0  0  0 
 12 17  1  0  0  0  0 
  4  5  1  0  0  0  0 
  1 15  1  0  0  0  0 
S  SKP  7 
ID	BMMCAS--d002 
NAME	1-Chloro-2,2-bis(4'-chloro-phenyl)-ethane 
FORMULA	C14H11Cl3 
EXACTMASS	283.9926 
AVERAGEMASS	285.5952 
SMILES	ClCC(c(c2)ccc(Cl)c2)c(c1)ccc(Cl)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06638 
M  END