Mol:BMMCLA--k015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 10 10 0 0 1 0 0 0 0 0999 V2000 | + | 10 10 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.5878 1.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5878 1.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8968 0.0981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.8968 0.0981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.0878 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0878 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2788 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2788 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5878 1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5878 1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8479 -0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8479 -0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0558 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0558 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3126 -1.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3126 -1.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0068 -1.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0068 -1.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 1 1 4 0 0 0 | + | 2 1 1 4 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 5 10 2 0 0 0 0 | + | 5 10 2 0 0 0 0 |
| − | 2 6 1 0 0 0 0 | + | 2 6 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 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--k015 | + | ID BMMCLA--k015 |
| − | NAME Mucono-lactone | + | NAME Mucono-lactone |
| − | FORMULA C6H6O4 | + | FORMULA C6H6O4 |
| − | EXACTMASS 142.0266 | + | EXACTMASS 142.0266 |
| − | AVERAGEMASS 142.1094 | + | AVERAGEMASS 142.1094 |
| − | SMILES OC(=O)CC(C=1)OC(=O)C1 | + | SMILES OC(=O)CC(C=1)OC(=O)C1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04105 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04105 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
10 10 0 0 1 0 0 0 0 0999 V2000
3.5878 1.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 0.0981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.0878 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 -0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3126 -1.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0068 -1.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
2 3 1 0 0 0 0
2 1 1 4 0 0 0
1 5 1 0 0 0 0
4 3 2 0 0 0 0
5 10 2 0 0 0 0
2 6 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
6 7 1 0 0 0 0
S SKP 7
ID BMMCLA--k015
NAME Mucono-lactone
FORMULA C6H6O4
EXACTMASS 142.0266
AVERAGEMASS 142.1094
SMILES OC(=O)CC(C=1)OC(=O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04105
M END
