Mol:BMFYS8DAp001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  0  0  0  0  0  0999 V2000 
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.2500    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 
    3.7321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  9  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5 12  2  0  0  0  0 
  2  3  1  0  0  0  0 
  5  6  1  0  0  0  0 
  1 10  1  0  0  0  0 
  6  7  2  0  0  0  0 
  3 11  2  0  0  0  0 
  7  8  1  0  0  0  0 
  2  1  1  0  0  0  0 
  8 13  2  0  0  0  0 
  3  4  1  0  0  0  0 
  8 14  1  0  0  0  0 
S  SKP  7 
ID	BMFYS8DAp001 
NAME	4-Fumaryl-acetoacetic acid 
FORMULA	C8H8O6 
EXACTMASS	200.032 
AVERAGEMASS	200.1455 
SMILES	OC(=O)C=CC(=O)CC(=O)CC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01061 
M  END