Mol:BMMCHC--k025

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  1  0  0  0  0  0999 V2000 
    2.0000   -0.2463    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8090   -0.8341    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6180   -0.2463    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.3090    0.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3090    0.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5691   -0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3122    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2633   -0.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0064    0.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9575    0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1654   -0.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7006    0.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  1  1  0  0  0  0 
  3  2  1  4  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  1  2  1  0  0  0  0 
  3  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 
 10 11  1  0  0  0  0 
 10 12  2  0  0  0  0 
  9 10  1  0  0  0  0 
S  SKP  7 
ID	BMMCHC--k025 
NAME	Lipoic acid 
FORMULA	C8H14O2S2 
EXACTMASS	206.0435 
AVERAGEMASS	206.3275 
SMILES	OC(=O)CCCCC(C1)SSC1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00725 
M  END