Mol:BMFYB6CAg001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 11 10 0 0 0 0 0 0 0 0 1 V2000 | + | 11 10 0 0 0 0 0 0 0 0 1 V2000 |
− | 20.2039 -4.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.2039 -4.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.8689 -5.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.8689 -5.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.2039 -6.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.2039 -6.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.8739 -6.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.8739 -6.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.2089 -8.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.2089 -8.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.8739 -9.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.8739 -9.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.8689 -8.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.8689 -8.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.8689 -3.4171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.8689 -3.4171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.8739 -4.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.8739 -4.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.2039 -9.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.2039 -9.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.2089 -10.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.2089 -10.3280 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 |
− | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
− | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
− | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
− | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
− | 6 11 2 0 0 0 0 | + | 6 11 2 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
− | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
− | 1 8 2 0 0 0 0 | + | 1 8 2 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMFYB6CAg001 | + | ID BMFYB6CAg001 |
− | NAME 3-Methyl-cis,cis-muconic acid | + | NAME 3-Methyl-cis,cis-muconic acid |
− | FORMULA C7H8O4 | + | FORMULA C7H8O4 |
− | EXACTMASS 156.0422 | + | EXACTMASS 156.0422 |
− | AVERAGEMASS 156.136 | + | AVERAGEMASS 156.136 |
− | SMILES CC(C=CC(O)=O)=CC(O)=O | + | SMILES CC(C=CC(O)=O)=CC(O)=O |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04112 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04112 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 11 10 0 0 0 0 0 0 0 0 1 V2000 20.2039 -4.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8689 -5.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2039 -6.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8739 -6.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2089 -8.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8739 -9.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8689 -8.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8689 -3.4171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8739 -4.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2039 -9.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2089 -10.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 10 6 1 0 0 0 0 2 1 1 0 0 0 0 5 4 2 0 0 0 0 1 9 1 0 0 0 0 6 11 2 0 0 0 0 4 3 1 0 0 0 0 3 7 1 0 0 0 0 6 5 1 0 0 0 0 1 8 2 0 0 0 0 S SKP 7 ID BMFYB6CAg001 NAME 3-Methyl-cis,cis-muconic acid FORMULA C7H8O4 EXACTMASS 156.0422 AVERAGEMASS 156.136 SMILES CC(C=CC(O)=O)=CC(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04112 M END