Mol:BMFYB4DAs020

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10  9  0  0  1  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  3  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 
    4.5981   -1.0000    0.0000 C   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 
    5.4641    0.5000    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 
  3  6  1  4  0  0  0 
  3  2  1  0  0  0  0 
  4 10  1  0  0  0  0 
  4  9  2  0  0  0  0 
  3  4  1  0  0  0  0 
  2  5  2  0  0  0  0 
  1  8  1  0  0  0  0 
  1  7  2  0  0  0  0 
  2  1  1  0  0  0  0 
S  SKP  7 
ID	BMFYB4DAs020 
NAME	Methyl-itaconic acid 
FORMULA	C6H8O4 
EXACTMASS	144.0422 
AVERAGEMASS	144.1253 
SMILES	OC(=O)C(C)C(=C)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02295 
M  END