FL63ACNS0010
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | |SysName=(2R,3R)-3,5,7,3',4'-Pentahydroxyflavan 3-O-(4-O-methylgallate) | + | |SysName= (2R,3R) -3,5,7,3',4'-Pentahydroxyflavan 3-O- (4-O-methylgallate) |
| − | |Common Name=&&Epicatechin 3-O-(4-O-methylgallate)&& | + | |Common Name=&&Epicatechin 3-O- (4-O-methylgallate) && (2R,3R) -3,5,7,3',4'-Pentahydroxyflavan 3-O- (4-O-methylgallate) && |
|CAS=108907-44-4 | |CAS=108907-44-4 | ||
|KNApSAcK=C00008870 | |KNApSAcK=C00008870 | ||
}} | }} | ||
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 | 108907-44-4 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | FL63ACNS0010.mol |
| Epicatechin 3-O- (4-O-methylgallate) | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (2R,3R) -3,5,7,3',4'-Pentahydroxyflavan 3-O- (4-O-methylgallate) |
| Common Name |
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| Symbol | |
| Formula | C23H20O10 |
| Exact Mass | 456.10564686 |
| Average Mass | 456.3989 |
| SMILES | c(c1)(O)cc(O2)c(C[C@@H](OC(c(c4)cc(c(OC)c(O)4)O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Species Information
| Species-Flavonoid Relationship Reported | ||||||||
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