Mol:BMMCPD--k009
From Metabolomics.JP
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 11 11 0 0 0 0 0 0 0 0999 V2000 | + | 11 11 0 0 0 0 0 0 0 0999 V2000 |
− | 3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
− | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
− | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
− | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
− | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
− | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
− | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
− | 5 8 1 0 0 0 0 | + | 5 8 1 0 0 0 0 |
− | 3 9 1 0 0 0 0 | + | 3 9 1 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 BMMCPD--k009 | + | ID BMMCPD--k009 |
− | NAME | + | NAME 5-Hydroxy-6-methylpyridine-3-carboxylic acid |
− | FORMULA C7H7NO3 | + | CAS_RN 7428-22-0 |
− | EXACTMASS 153.0425 | + | FORMULA C7H7NO3 |
− | AVERAGEMASS 153.1354 | + | EXACTMASS 153.0425 |
− | SMILES Cc(n1)c(O)cc(c1)C(O)=O | + | AVERAGEMASS 153.1354 |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01270 | + | SMILES Cc(n1)c(O)cc(c1)C(O)=O |
+ | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01270 | ||
M END | M END | ||
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Latest revision as of 18:03, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/ 11 11 0 0 0 0 0 0 0 0999 V2000 3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 3 2 1 0 0 0 0 2 1 2 0 0 0 0 1 6 1 0 0 0 0 6 5 2 0 0 0 0 5 4 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 5 8 1 0 0 0 0 3 9 1 0 0 0 0 2 7 1 0 0 0 0 S SKP 7 ID BMMCPD--k009 NAME 5-Hydroxy-6-methylpyridine-3-carboxylic acid CAS_RN 7428-22-0 FORMULA C7H7NO3 EXACTMASS 153.0425 AVERAGEMASS 153.1354 SMILES Cc(n1)c(O)cc(c1)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01270 M END