Mol:BMFYB5DAk010
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 0 0 0 0 0 0 1 V2000 | + | 12 11 0 0 0 0 0 0 0 0 1 V2000 |
| − | 21.2029 -8.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.2029 -8.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.0511 -7.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.0511 -7.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.0511 -6.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.0511 -6.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21.2029 -5.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.2029 -5.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21.2029 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.2029 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.8993 -5.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.8993 -5.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22.3547 -7.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.3547 -7.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21.2029 -9.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.2029 -9.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.0511 -3.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.0511 -3.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22.3547 -3.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.3547 -3.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.8993 -4.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.8993 -4.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 17.7475 -6.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.7475 -6.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
| − | 6 11 2 0 0 0 0 | + | 6 11 2 0 0 0 0 |
| − | 3 6 1 0 0 0 0 | + | 3 6 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 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 1 7 2 0 0 0 0 | + | 1 7 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | S SKP | + | S SKP 8 |
| − | ID BMFYB5DAk010 | + | AUTODRAW false |
| − | NAME cis-Aconitic acid | + | ID BMFYB5DAk010 |
| − | FORMULA C6H6O6 | + | NAME cis-Aconitic acid |
| − | EXACTMASS 174.0164 | + | FORMULA C6H6O6 |
| − | AVERAGEMASS 174.1082 | + | EXACTMASS 174.0164 |
| − | SMILES OC(=O)CC(=CC(O)=O)C(O)=O | + | AVERAGEMASS 174.1082 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00417 | + | SMILES OC(=O)CC(=CC(O)=O)C(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00417 | ||
M END | M END | ||
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Latest revision as of 16:14, 27 March 2009
Copyright: ARM project http://www.metabolome.jp/ 12 11 0 0 0 0 0 0 0 0 1 V2000 21.2029 -8.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0511 -7.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0511 -6.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2029 -5.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2029 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8993 -5.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3547 -7.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2029 -9.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0511 -3.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3547 -3.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8993 -4.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7475 -6.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 3 2 0 0 0 0 6 12 1 0 0 0 0 6 11 2 0 0 0 0 3 6 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 3 2 1 0 0 0 0 1 8 1 0 0 0 0 1 7 2 0 0 0 0 2 1 1 0 0 0 0 S SKP 8 AUTODRAW false ID BMFYB5DAk010 NAME cis-Aconitic acid FORMULA C6H6O6 EXACTMASS 174.0164 AVERAGEMASS 174.1082 SMILES OC(=O)CC(=CC(O)=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00417 M END
