Mol:BMCCID--q004
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 12 0 0 0 0 0 0 0 0999 V2000 | + | 11 12 0 0 0 0 0 0 0 0999 V2000 |
− | 4.3794 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3794 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3849 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3849 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9781 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7213 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7213 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5873 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5873 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4533 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4533 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4533 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4533 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5873 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5873 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7213 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7213 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 0.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8849 -1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8849 -1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
− | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
− | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
− | 9 3 1 0 0 0 0 | + | 9 3 1 0 0 0 0 |
− | 3 10 1 0 0 0 0 | + | 3 10 1 0 0 0 0 |
− | 2 11 1 0 0 0 0 | + | 2 11 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMCCID--q004 | + | ID BMCCID--q004 |
− | NAME 2,3-Dihydroxy-indole | + | NAME 2,3-Dihydroxy-indole |
− | FORMULA C8H7NO2 | + | FORMULA C8H7NO2 |
− | EXACTMASS 149.0476 | + | EXACTMASS 149.0476 |
− | AVERAGEMASS 149.1467 | + | AVERAGEMASS 149.1467 |
− | SMILES Oc(n1)c(O)c(c2)c(ccc2)1 | + | SMILES Oc(n1)c(O)c(c2)c(ccc2)1 |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02775 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02775 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 11 12 0 0 0 0 0 0 0 0999 V2000 4.3794 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5873 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5873 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 -1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 9 4 1 0 0 0 0 8 9 2 0 0 0 0 3 2 2 0 0 0 0 2 1 1 0 0 0 0 1 8 1 0 0 0 0 9 3 1 0 0 0 0 3 10 1 0 0 0 0 2 11 1 0 0 0 0 S SKP 7 ID BMCCID--q004 NAME 2,3-Dihydroxy-indole FORMULA C8H7NO2 EXACTMASS 149.0476 AVERAGEMASS 149.1467 SMILES Oc(n1)c(O)c(c2)c(ccc2)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02775 M END