Mol:BMXXBX--f004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 15  0  0  0  0  0  0  0  0999 V2000 
    8.0622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  3  6  1  0  0  0  0 
  3  4  1  0  0  0  0 
  2  1  1  0  0  0  0 
  4  5  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  8  1  0  0  0  0 
  8 16  1  0  0  0  0 
 16 14  1  0  0  0  0 
 14 11  1  0  0  0  0 
 14 15  2  0  0  0  0 
 11 10  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 10  9  1  0  0  0  0 
S  SKP  7 
ID	BMXXBX--f004 
NAME	Disulfiram 
FORMULA	C10H20N2S4 
EXACTMASS	296.0509 
AVERAGEMASS	296.5432 
SMILES	CCN(CC)C(=S)SSC(=S)N(CC)CC 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01692 
M  END