Mol:BMFYB4ESs010
From Metabolomics.JP
<pre> 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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