Mol:BMFYB4ESs010
From Metabolomics.JP
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
