Mol:BMFYB6DAk002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 12  0  0  0  0  0  0  0  0  1 V2000 
   22.5731   -6.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.5731   -9.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1345  -10.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.6959   -9.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.2573  -10.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.2573  -13.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1345  -13.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1345   -5.1596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.0119   -5.1596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   15.2422  -16.0251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.4418  -14.9693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.6959  -15.0153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.5731  -15.0153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  2  0  0  0  0 
  7 13  1  0  0  0  0 
  3  4  1  0  0  0  0 
  7 12  2  0  0  0  0 
  4  5  2  0  0  0  0 
  1  9  1  0  0  0  0 
  3  7  1  0  0  0  0 
  6 11  1  0  0  0  0 
  2  1  1  0  0  0  0 
  6 10  2  0  0  0  0 
  5  6  1  0  0  0  0 
  1  8  2  0  0  0  0 
S  SKP  8 
AUTODRAW	false 
ID	BMFYB6DAk002 
NAME	3-Carboxy-cis,cis-muconic acid 
FORMULA	C7H6O6 
EXACTMASS	186.0164 
AVERAGEMASS	186.1189 
SMILES	OC(=O)C=CC(=CC(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01163 
M  END