Mol:BMFYB5DAk010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  0  0  0  0  0  0  1 V2000 
   21.2029   -8.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0511   -7.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0511   -6.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.2029   -5.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.2029   -4.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.8993   -5.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.3547   -7.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.2029   -9.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0511   -3.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.3547   -3.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   18.8993   -4.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.7475   -6.0702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4  3  2  0  0  0  0 
  6 12  1  0  0  0  0 
  6 11  2  0  0  0  0 
  3  6  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  2  0  0  0  0 
  4  5  1  0  0  0  0 
  3  2  1  0  0  0  0 
  1  8  1  0  0  0  0 
  1  7  2  0  0  0  0 
  2  1  1  0  0  0  0 
S  SKP  8 
AUTODRAW	false 
ID	BMFYB5DAk010 
NAME	cis-Aconitic acid 
FORMULA	C6H6O6 
EXACTMASS	174.0164 
AVERAGEMASS	174.1082 
SMILES	OC(=O)CC(=CC(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00417 
M  END