Mol:BMFYB4ESs010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 13 0 0 1 0 0 0 0 0999 V2000 | + | 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 | + | 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 | + | 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 0.7500 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 | + | 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 | + | 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 | + | 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 | + | 2.8660 -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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 3 2 1 0 0 0 0 |
| − | 1 10 1 0 0 0 0 | + | 1 10 1 0 0 0 0 |
| − | 1 11 2 0 0 0 0 | + | 1 11 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 4 12 1 0 0 0 0 | + | 4 12 1 0 0 0 0 |
| − | 4 13 2 0 0 0 0 | + | 4 13 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 12 7 1 0 0 0 0 | + | 12 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 2 9 1 4 0 0 0 | + | 2 9 1 4 0 0 0 |
| − | 3 14 2 0 0 0 0 | + | 3 14 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB4ESs010 | + | ID BMFYB4ESs010 |
| − | NAME Diethyl 2-methyl-3-oxo-succinic acid | + | NAME Diethyl 2-methyl-3-oxo-succinic acid |
| − | FORMULA C9H14O5 | + | FORMULA C9H14O5 |
| − | EXACTMASS 202.0841 | + | EXACTMASS 202.0841 |
| − | AVERAGEMASS 202.2044 | + | AVERAGEMASS 202.2044 |
| − | SMILES CCOC(=O)C(C)C(=O)C(=O)OCC | + | SMILES CCOC(=O)C(C)C(=O)C(=O)OCC |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04067 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04067 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
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
