Mol:BMACBZHOp002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 16 16 0 0 1 0 0 0 0 0999 V2000 | + | 16 16 0 0 1 0 0 0 0 0999 V2000 |
− | 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
− | 4 3 2 0 0 0 0 | + | 4 3 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 |
− | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
− | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 7 15 2 0 0 0 0 | + | 7 15 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
− | 10 13 1 0 0 0 0 | + | 10 13 1 0 0 0 0 |
− | 10 14 2 0 0 0 0 | + | 10 14 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 3 16 1 0 0 0 0 | + | 3 16 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMACBZHOp002 | + | ID BMACBZHOp002 |
− | NAME 3-Hydroxy-L-kynurenine | + | NAME 3-Hydroxy-L-kynurenine |
− | FORMULA C10H12N2O4 | + | FORMULA C10H12N2O4 |
− | EXACTMASS 224.0797 | + | EXACTMASS 224.0797 |
− | AVERAGEMASS 224.2133 | + | AVERAGEMASS 224.2133 |
− | SMILES OC(=O)[C@@H](N)CC(=O)c(c1)c(N)c(O)cc1 | + | SMILES OC(=O)[C@@H](N)CC(=O)c(c1)c(N)c(O)cc1 |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03227 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03227 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 16 16 0 0 1 0 0 0 0 0999 V2000 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 5 4 1 0 0 0 0 4 3 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 2 12 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 7 15 2 0 0 0 0 8 9 1 0 0 0 0 9 11 1 6 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 9 10 1 0 0 0 0 3 16 1 0 0 0 0 S SKP 7 ID BMACBZHOp002 NAME 3-Hydroxy-L-kynurenine FORMULA C10H12N2O4 EXACTMASS 224.0797 AVERAGEMASS 224.2133 SMILES OC(=O)[C@@H](N)CC(=O)c(c1)c(N)c(O)cc1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03227 M END