Mol:BMFYS6SAd004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  0  0  0  0  0  0999 V2000 
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  4  1  0  0  0  0 
  3  2  2  0  0  0  0 
  4  5  2  0  0  0  0 
  2  1  1  0  0  0  0 
  2 10  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  1  8  1  0  0  0  0 
  1  9  2  0  0  0  0 
  6 11  2  0  0  0  0 
S  SKP  7 
ID	BMFYS6SAd004 
NAME	5-Chloro-2-hydroxy-muconic semialdehyde 
FORMULA	C6H5ClO4 
EXACTMASS	175.9876 
AVERAGEMASS	176.5542 
SMILES	O=CC(Cl)=CC=C(O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C07089 
M  END