Mol:BMFYS7DAq007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  0  0  0  0  0  0  1 V2000 
   19.6559  -14.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.7291  -13.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.7291  -10.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.6559   -9.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.6559   -7.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.7291   -6.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.8023   -7.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.7291   -4.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.5827  -13.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.6559  -16.3395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   15.8023   -9.6648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  4  2  0  0  0  0 
  6  7  2  0  0  0  0 
  6  8  1  0  0  0  0 
  5  6  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  1  9  1  0  0  0  0 
  1 10  2  0  0  0  0 
  2  1  1  0  0  0  0 
  3 11  1  0  0  0  0 
S  SKP  7 
ID	BMFYS7DAq007 
NAME	3-Hydroxy-cis,cis-muconic acid 
FORMULA	C6H6O5 
EXACTMASS	158.0215 
AVERAGEMASS	158.1088 
SMILES	OC(=O)C=CC(O)=CC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03676 
M  END