Mol:BMMCBZ2Pk002
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 13 0 0 1 0 0 0 0 0999 V2000 | + | 13 13 0 0 1 0 0 0 0 0999 V2000 |
− | 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 |
− | 2.8660 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.5000 0.0000 C 0 0 1 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 | + | 3.7321 1.0000 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 | + | 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.5000 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 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.0000 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 |
− | 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 |
− | 3.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 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 | + | 2.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
− | 1 10 1 0 0 0 0 | + | 1 10 1 0 0 0 0 |
− | 1 11 2 0 0 0 0 | + | 1 11 2 0 0 0 0 |
− | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
− | 2 12 1 1 0 0 0 | + | 2 12 1 1 0 0 0 |
− | 4 9 2 0 0 0 0 | + | 4 9 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 7 13 1 0 0 0 0 | + | 7 13 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMMCBZ2Pk002 | + | ID BMMCBZ2Pk002 |
− | NAME (R)-3-(4-Hydroxy-phenyl)-lactic acid | + | NAME (R)-3-(4-Hydroxy-phenyl)-lactic acid |
− | FORMULA C9H10O4 | + | FORMULA C9H10O4 |
− | EXACTMASS 182.0579 | + | EXACTMASS 182.0579 |
− | AVERAGEMASS 182.1733 | + | AVERAGEMASS 182.1733 |
− | SMILES Oc(c1)ccc(c1)C[C@@H](O)C(O)=O | + | SMILES Oc(c1)ccc(c1)C[C@@H](O)C(O)=O |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03964 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03964 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 13 13 0 0 1 0 0 0 0 0999 V2000 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 C 0 0 1 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 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 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 3.7321 -2.0000 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 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 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 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 1 1 0 0 0 0 2 12 1 1 0 0 0 4 9 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 3 4 1 0 0 0 0 7 13 1 0 0 0 0 S SKP 7 ID BMMCBZ2Pk002 NAME (R)-3-(4-Hydroxy-phenyl)-lactic acid FORMULA C9H10O4 EXACTMASS 182.0579 AVERAGEMASS 182.1733 SMILES Oc(c1)ccc(c1)C[C@@H](O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03964 M END