Mol:BMFYB6SAk005

<pre>

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

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