Mol:BMFYB4ESs010

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BMFYB4ESs010.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  1  0  0  0  0  0999 V2000 
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.7321    0.7500    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 
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    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 
    2.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.2500    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   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  1  0  0  0  0 
  1 10  1  0  0  0  0 
  1 11  2  0  0  0  0 
  2  1  1  0  0  0  0 
  4 12  1  0  0  0  0 
  4 13  2  0  0  0  0 
  3  4  1  0  0  0  0 
 10  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
 12  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  2  9  1  4  0  0  0 
  3 14  2  0  0  0  0 
S  SKP  7 
ID	BMFYB4ESs010 
NAME	Diethyl 2-methyl-3-oxo-succinic acid 
FORMULA	C9H14O5 
EXACTMASS	202.0841 
AVERAGEMASS	202.2044 
SMILES	CCOC(=O)C(C)C(=O)C(=O)OCC 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04067 
M  END
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