Mol:BMFYB4DAs014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  1  0  0  0  0  0999 V2000 
    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  3  0  0  0  0  0  0  0  0  0 
    3.7321   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.2500    0.0000 C   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 
    5.4641    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 11  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  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 
  2  9  1  4  0  0  0 
  4 10  1  0  0  0  0 
  3  5  1  4  0  0  0 
  5  6  1  0  0  0  0 
S  SKP  7 
ID	BMFYB4DAs014 
NAME	3-Ethyl-malic acid 
FORMULA	C6H10O5 
EXACTMASS	162.0528 
AVERAGEMASS	162.1406 
SMILES	CCC(C(O)=O)C(O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01989 
M  END