Mol:BMFYB6SAk005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  0  0  0  0  0  0999 V2000 
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  9  1  0  0  0  0 
  5  7  1  0  0  0  0 
  2  1  1  0  0  0  0 
  7  8  1  0  0  0  0 
  1 11  1  0  0  0  0 
  1 10  2  0  0  0  0 
  5  6  1  0  0  0  0 
  3  2  2  0  0  0  0 
  6 12  2  0  0  0  0 
  4  3  1  0  0  0  0 
  8 13  2  0  0  0  0 
  4  5  2  0  0  0  0 
  8 14  1  0  0  0  0 
S  SKP  7 
ID	BMFYB6SAk005 
NAME	5-Carboxy-methyl-2-hydroxy-muconate semialdehyde 
FORMULA	C8H8O6 
EXACTMASS	200.032 
AVERAGEMASS	200.1455 
SMILES	O=CC(=CC=C(O)C(O)=O)CC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04642 
M  END