Mol:BMMCLA--k004
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 0 0 0 0 0 0999 V2000 | + | 10 10 0 0 0 0 0 0 0 0999 V2000 |
| − | 5.1701 0.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1701 0.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4791 -0.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4791 -0.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6701 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6701 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8611 -0.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8611 -0.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1701 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1701 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5823 0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5823 0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5878 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5878 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1810 -0.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1810 -0.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4302 -1.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4302 -1.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 2 10 2 0 0 0 0 | + | 2 10 2 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCLA--k004 | + | ID BMMCLA--k004 |
| − | NAME 3-Oxo-adipate enol-lactone | + | NAME 3-Oxo-adipate enol-lactone |
| − | FORMULA C6H6O4 | + | FORMULA C6H6O4 |
| − | EXACTMASS 142.0266 | + | EXACTMASS 142.0266 |
| − | AVERAGEMASS 142.1094 | + | AVERAGEMASS 142.1094 |
| − | SMILES OC(=O)CC(=C1)OC(=O)C1 | + | SMILES OC(=O)CC(=C1)OC(=O)C1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03586 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03586 |
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 0 0 0 0 0 0999 V2000
5.1701 0.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 -0.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8611 -0.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 -0.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -1.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 6 1 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
7 8 1 0 0 0 0
6 7 1 0 0 0 0
7 9 2 0 0 0 0
2 10 2 0 0 0 0
5 1 1 0 0 0 0
1 2 1 0 0 0 0
S SKP 7
ID BMMCLA--k004
NAME 3-Oxo-adipate enol-lactone
FORMULA C6H6O4
EXACTMASS 142.0266
AVERAGEMASS 142.1094
SMILES OC(=O)CC(=C1)OC(=O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03586
M END
