Mol:BMFYB6DAk002
From Metabolomics.JP
(Difference between revisions)
| (One intermediate revision by one user not shown) | |||
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 12 0 0 0 0 0 0 0 0 1 V2000 | + | 13 12 0 0 0 0 0 0 0 0 1 V2000 |
| − | 22.5731 -6.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.5731 -6.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22.5731 -9.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.5731 -9.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.1345 -10.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.1345 -10.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 17.6959 -9.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.6959 -9.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.2573 -10.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.2573 -10.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.2573 -13.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.2573 -13.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.1345 -13.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.1345 -13.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.1345 -5.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.1345 -5.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 25.0119 -5.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 25.0119 -5.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.2422 -16.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.2422 -16.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.4418 -14.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.4418 -14.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 17.6959 -15.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.6959 -15.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22.5731 -15.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.5731 -15.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 13 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 6 11 1 0 0 0 0 | + | 6 11 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 6 10 2 0 0 0 0 | + | 6 10 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 8 2 0 0 0 0 | + | 1 8 2 0 0 0 0 |
| − | S SKP | + | S SKP 8 |
| − | ID BMFYB6DAk002 | + | AUTODRAW false |
| − | NAME 3-Carboxy-cis,cis-muconic acid | + | ID BMFYB6DAk002 |
| − | FORMULA C7H6O6 | + | NAME 3-Carboxy-cis,cis-muconic acid |
| − | EXACTMASS 186.0164 | + | FORMULA C7H6O6 |
| − | AVERAGEMASS 186.1189 | + | EXACTMASS 186.0164 |
| − | SMILES OC(=O)C=CC(=CC(O)=O)C(O)=O | + | AVERAGEMASS 186.1189 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01163 | + | SMILES OC(=O)C=CC(=CC(O)=O)C(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01163 | ||
M END | M END | ||
| − | |||
Latest revision as of 16:09, 27 March 2009
Copyright: ARM project http://www.metabolome.jp/ 13 12 0 0 0 0 0 0 0 0 1 V2000 22.5731 -6.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5731 -9.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1345 -10.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6959 -9.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2573 -10.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2573 -13.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1345 -13.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1345 -5.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0119 -5.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2422 -16.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4418 -14.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6959 -15.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5731 -15.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 7 13 1 0 0 0 0 3 4 1 0 0 0 0 7 12 2 0 0 0 0 4 5 2 0 0 0 0 1 9 1 0 0 0 0 3 7 1 0 0 0 0 6 11 1 0 0 0 0 2 1 1 0 0 0 0 6 10 2 0 0 0 0 5 6 1 0 0 0 0 1 8 2 0 0 0 0 S SKP 8 AUTODRAW false ID BMFYB6DAk002 NAME 3-Carboxy-cis,cis-muconic acid FORMULA C7H6O6 EXACTMASS 186.0164 AVERAGEMASS 186.1189 SMILES OC(=O)C=CC(=CC(O)=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01163 M END
