Mol:BMFYB4DAr016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  9  8  0  0  0  0  0  0  0  0  1 V2000 
   27.5655   -6.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.4137   -6.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.4137   -8.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.5655   -8.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.2618   -6.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.7173   -6.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   27.5655   -4.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   27.5655  -10.0339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.7173   -8.0389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  2  0  0  0  0 
  4  8  1  0  0  0  0 
  4  9  2  0  0  0  0 
  3  4  1  0  0  0  0 
  1  6  1  0  0  0  0 
  1  7  2  0  0  0  0 
  2  1  1  0  0  0  0 
  2  5  1  0  0  0  0 
S  SKP  8 
ID	BMFYB4DAr016 
NAME	Citraconic acid 
AUTODRAW	false 
FORMULA	C5H6O4 
EXACTMASS	130.0266 
AVERAGEMASS	130.0987 
SMILES	CC(=CC(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02226 
M  END