FL63ACNS0007
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | |SysName=3,4,5-Trihydroxybenzoic acid [[(2S)-2beta-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran]-3alpha-yl] ester | + | |SysName=3,4,5-Trihydroxybenzoic acid [ [ (2S) -2beta- (3,4-dihydroxyphenyl) -3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran ] -3alpha-yl ] ester |
| − | |Common Name=&&ent-Catechin 3-O-gallate&&3,4,5-Trihydroxybenzoic acid [[(2S)-2beta-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran]-3alpha-yl] ester&& | + | |Common Name=&&ent-Catechin 3-O-gallate&&3,4,5-Trihydroxybenzoic acid [ [ (2S) -2beta- (3,4-dihydroxyphenyl) -3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran ] -3alpha-yl ] ester&& |
|CAS=130405-40-2 | |CAS=130405-40-2 | ||
|KNApSAcK=C00008867 | |KNApSAcK=C00008867 | ||
}} | }} | ||
Latest revision as of 09:00, 22 September 2008
| Flavonoid Top | Molecule Index | Author Index | Journals | Structure Search | Food | New Input |
Upper classes : FL Flavonoid : FL6 Flavan : FL63 Flavan 3-ol : FL63AC Catechin and Epicatechin (75 pages) : FL63ACNS Simple substitution (24 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 130405-40-2 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | FL63ACNS0007.mol |
| ent-Catechin 3-O-gallate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 3,4,5-Trihydroxybenzoic acid [ [ (2S) -2beta- (3,4-dihydroxyphenyl) -3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran ] -3alpha-yl ] ester |
| Common Name |
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| Symbol | |
| Formula | C22H18O10 |
| Exact Mass | 442.089996796 |
| Average Mass | 442.37232000000006 |
| SMILES | Oc(c(O)1)cc(C(=O)OC(C3)C(Oc(c4)c3c(O)cc(O)4)c(c2)c |
| Physicochemical Information | |
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| Spectral Information | |
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| NMR Spectra | |
| Chromatograms | |
Species Information
| Species-Flavonoid Relationship Reported | ||||||||
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