Mol:BMFYB5DAk003
From Metabolomics.JP
(Difference between revisions)
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− | 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 |
− | 21.2085 -5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.2085 -5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.0566 -6.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.0566 -6.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.0566 -7.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.0566 -7.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 21.2085 -8.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.2085 -8.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 21.2085 -4.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.2085 -4.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.9049 -8.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.9049 -8.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.9049 -5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.9049 -5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.0566 -3.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.0566 -3.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 22.3603 -3.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.3603 -3.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.7530 -7.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.7530 -7.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.9049 -9.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.9049 -9.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.9049 -4.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.9049 -4.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.7530 -6.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.7530 -6.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
− | 5 8 1 0 0 0 0 | + | 5 8 1 0 0 0 0 |
− | 5 9 2 0 0 0 0 | + | 5 9 2 0 0 0 0 |
− | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 6 10 1 0 0 0 0 | + | 6 10 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 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 7 12 1 0 0 0 0 | + | 7 12 1 0 0 0 0 |
− | 7 13 2 0 0 0 0 | + | 7 13 2 0 0 0 0 |
− | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMFYB5DAk003 | + | ID BMFYB5DAk003 |
− | NAME (Z)-But-2-ene-1,2,3-tricarboxylic acid | + | NAME (Z)-But-2-ene-1,2,3-tricarboxylic acid |
− | FORMULA C7H8O6 | + | FORMULA C7H8O6 |
− | EXACTMASS 188.032 | + | EXACTMASS 188.032 |
− | AVERAGEMASS 188.1348 | + | AVERAGEMASS 188.1348 |
− | SMILES OC(=O)CC(C(O)=O)=C(C)C(O)=O | + | SMILES OC(=O)CC(C(O)=O)=C(C)C(O)=O |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04225 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04225 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 13 12 0 0 0 0 0 0 0 0 1 V2000 21.2085 -5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0566 -6.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0566 -7.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2085 -8.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2085 -4.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9049 -8.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9049 -5.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0566 -3.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3603 -3.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7530 -7.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9049 -9.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9049 -4.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7530 -6.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 3 6 1 0 0 0 0 3 4 1 0 0 0 0 7 12 1 0 0 0 0 7 13 2 0 0 0 0 2 7 1 0 0 0 0 S SKP 7 ID BMFYB5DAk003 NAME (Z)-But-2-ene-1,2,3-tricarboxylic acid FORMULA C7H8O6 EXACTMASS 188.032 AVERAGEMASS 188.1348 SMILES OC(=O)CC(C(O)=O)=C(C)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04225 M END