Mol:BMFYS7DAd005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  0  0  0  0  0  0  1 V2000 
   20.8121  -10.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.1471   -8.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.4821  -10.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.4821  -13.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.8171  -14.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1520  -13.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.8171   -8.8272    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
   23.4772   -8.8272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   20.8121  -13.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.1520  -10.3659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4870  -14.9819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  4  2  0  0  0  0 
  6 10  1  0  0  0  0 
  6 11  2  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  8  2  0  0  0  0 
  2  1  1  0  0  0  0 
  3  7  1  0  0  0  0 
S  SKP  8 
AUTODRAW	false 
ID	BMFYS7DAd005 
NAME	3-Chloro-cis,cis-muconic acid 
FORMULA	C6H5ClO4 
EXACTMASS	175.9876 
AVERAGEMASS	176.5542 
SMILES	OC(=O)C=CC(Cl)=CC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03585 
M  END