Mol:BMMCAS--d013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 16  0  0  0  0  0  0  0  0999 V2000 
    5.4641    1.0000    0.0000 C   0  0  0  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 
    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 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  2  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
  8  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  5 14  1  0  0  0  0 
 11 15  1  0  0  0  0 
S  SKP  7 
ID	BMMCAS--d013 
NAME	Bis(4'-chlorophenyl)-methane 
FORMULA	C13H10Cl2 
EXACTMASS	236.0159 
AVERAGEMASS	237.1239 
SMILES	Clc(c2)ccc(c2)Cc(c1)ccc(Cl)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06641 
M  END