Mol:BMFYB8AMf002

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BMFYB8AMf002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 18 17  0  0  1  0  0  0  0  0999 V2000 
    2.8660   -4.2500    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 
    3.7321   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.7500    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 
    4.5981   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.4641    0.2500    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 
    6.3301    1.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -4.7500    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  3  0  0  0  0  0  0  0  0  0 
    7.1962    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 14 15  1  0  0  0  0 
 13 12  1  0  0  0  0 
 12  9  1  0  0  0  0 
 12 18  2  0  0  0  0 
 13 16  1  4  0  0  0 
  4  3  1  0  0  0  0 
  4  5  1  0  0  0  0 
  3  2  1  0  0  0  0 
  1 11  1  0  0  0  0 
  1 17  2  0  0  0  0 
  2  1  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  6 10  1  4  0  0  0 
 13 14  1  0  0  0  0 
S  SKP  7 
ID	BMFYB8AMf002 
NAME	S- (8-Amino-8-oxo-3-sulfanyloctyl) 2-methylbutanethioic acid 
CAS_RN	935520-88-0 
FORMULA	C13H25NO2S2 
EXACTMASS	291.1326 
AVERAGEMASS	291.4751 
SMILES	CCC(C)C(=O)SCCC(S)CCCCC(N)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05118 
M  END
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