Mol:BMFYB8AMf001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 14  0  0  1  0  0  0  0  0999 V2000 
    7.1962    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.0000    0.0000 C   0  0  3  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 
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  7  6  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  6  5  1  0  0  0  0 
  6 11  1  4  0  0  0 
 11 12  1  0  0  0  0 
 12 15  2  0  0  0  0 
 12 13  1  0  0  0  0 
  5  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1 10  1  0  0  0  0 
  1 14  2  0  0  0  0 
S  SKP  7 
ID	BMFYB8AMf001 
NAME	S- (8-Amino-8-oxo-1-sulfanyloctan-3-yl) ethanethioic acid 
CAS_RN	63640-92-6 
FORMULA	C10H19NO2S2 
EXACTMASS	249.0857 
AVERAGEMASS	249.3954 
SMILES	SCCC(CCCCC(N)=O)SC(C)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01136 
M  END