Mol:BMFYB5DAr009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 11 0 0 1 0 0 0 0 0999 V2000 | + | 12 11 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2321 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2321 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2320 -1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2320 -1.6160 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 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 1 8 2 0 0 0 0 | + | 1 8 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 5 10 2 0 0 0 0 | + | 5 10 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 2 11 2 0 0 0 0 | + | 2 11 2 0 0 0 0 |
| − | 4 6 1 4 0 0 0 | + | 4 6 1 4 0 0 0 |
| − | 4 12 1 0 0 0 0 | + | 4 12 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB5DAr009 | + | ID BMFYB5DAr009 |
| − | NAME 4-Hydroxy-4-methyl-2-oxo-glutaric acid | + | NAME 4-Hydroxy-4-methyl-2-oxo-glutaric acid |
| − | FORMULA C6H8O6 | + | FORMULA C6H8O6 |
| − | EXACTMASS 176.032 | + | EXACTMASS 176.032 |
| − | AVERAGEMASS 176.1241 | + | AVERAGEMASS 176.1241 |
| − | SMILES OC(=O)C(=O)CC(C)(O)C(O)=O | + | SMILES OC(=O)C(=O)CC(C)(O)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04184 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04184 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 -1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
1 7 1 0 0 0 0
1 8 2 0 0 0 0
2 1 1 0 0 0 0
3 4 1 0 0 0 0
5 9 1 0 0 0 0
5 10 2 0 0 0 0
4 5 1 0 0 0 0
2 11 2 0 0 0 0
4 6 1 4 0 0 0
4 12 1 0 0 0 0
S SKP 7
ID BMFYB5DAr009
NAME 4-Hydroxy-4-methyl-2-oxo-glutaric acid
FORMULA C6H8O6
EXACTMASS 176.032
AVERAGEMASS 176.1241
SMILES OC(=O)C(=O)CC(C)(O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04184
M END
