Mol:BMMCHC--l024

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  1  0  0  0  0  0999 V2000 
    0.9958   -4.8209    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2276   -4.1034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.6166   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0141   -4.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2416   -4.8209    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9398   -3.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4995   -4.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2117   -4.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7714   -4.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4836   -4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0433   -4.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6361   -3.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  4  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  1  1  0  0  0  0 
  2  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 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 10 12  2  0  0  0  0 
S  SKP  7 
ID	BMMCHC--l024 
NAME	Lipoamide 
FORMULA	C8H15NOS2 
EXACTMASS	205.0595 
AVERAGEMASS	205.3428 
SMILES	NC(=O)CCCCC(C1)SSC1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00248 
M  END