Mol:BMFYB4DAr019

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  9  8  0  0  0  0  0  0  0  0999 V2000 
    4.5981    1.0000    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 
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.0000    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 
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  5  1  0  0  0  0 
  2  3  2  0  0  0  0 
  1  6  1  0  0  0  0 
  1  7  2  0  0  0  0 
  2  1  1  0  0  0  0 
  4  9  1  0  0  0  0 
  4  8  2  0  0  0  0 
  3  4  1  0  0  0  0 
S  SKP  7 
ID	BMFYB4DAr019 
NAME	Mesaconic acid 
FORMULA	C5H6O4 
EXACTMASS	130.0266 
AVERAGEMASS	130.0987 
SMILES	CC(=CC(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01732 
M  END