Mol:BMMCLA--k006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 13 0 0 1 0 0 0 0 0999 V2000 | + | 13 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.5878 0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5878 0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2788 -0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2788 -0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0878 -0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0878 -0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8968 -0.1169 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.8968 -0.1169 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.5878 0.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5878 0.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8479 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8479 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0558 1.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0558 1.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4846 -0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4846 -0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0068 1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0068 1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3126 1.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3126 1.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4791 -0.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4791 -0.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0779 -1.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0779 -1.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 4 5 1 4 0 0 0 | + | 4 5 1 4 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 1 9 2 0 0 0 0 | + | 1 9 2 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 0 0 0 0 |
| − | 8 12 2 0 0 0 0 | + | 8 12 2 0 0 0 0 |
| − | 7 11 1 0 0 0 0 | + | 7 11 1 0 0 0 0 |
| − | 7 10 2 0 0 0 0 | + | 7 10 2 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCLA--k006 | + | ID BMMCLA--k006 |
| − | NAME 4-Carboxy-muconolactone | + | NAME 4-Carboxy-muconolactone |
| − | FORMULA C7H6O6 | + | FORMULA C7H6O6 |
| − | EXACTMASS 186.0164 | + | EXACTMASS 186.0164 |
| − | AVERAGEMASS 186.1189 | + | AVERAGEMASS 186.1189 |
| − | SMILES OC(=O)CC(C=1)(OC(=O)C1)C(O)=O | + | SMILES OC(=O)CC(C=1)(OC(=O)C1)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01278 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01278 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 0 0 0 0 0999 V2000
2.5878 0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 -0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -0.1169 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5878 0.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 1.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4846 -0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0068 1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3126 1.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 -0.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0779 -1.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
1 5 1 0 0 0 0
4 5 1 4 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
1 9 2 0 0 0 0
4 8 1 0 0 0 0
4 6 1 0 0 0 0
8 13 1 0 0 0 0
8 12 2 0 0 0 0
7 11 1 0 0 0 0
7 10 2 0 0 0 0
6 7 1 0 0 0 0
S SKP 7
ID BMMCLA--k006
NAME 4-Carboxy-muconolactone
FORMULA C7H6O6
EXACTMASS 186.0164
AVERAGEMASS 186.1189
SMILES OC(=O)CC(C=1)(OC(=O)C1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01278
M END
