FL63ACNS0012
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | |SysName=(2R,3S)-3,5,7,3',4'-Pentahydroxyflavan 7-O-gallate | + | |SysName= (2R,3S) -3,5,7,3',4'-Pentahydroxyflavan 7-O-gallate |
| − | |Common Name=&&Catechin 7-O-gallate&&(2R,3S)-3,5,7,3',4'-Pentahydroxyflavan 7-O-gallate&& | + | |Common Name=&&Catechin 7-O-gallate&& (2R,3S) -3,5,7,3',4'-Pentahydroxyflavan 7-O-gallate&& |
|CAS=89702-01-2 | |CAS=89702-01-2 | ||
|KNApSAcK=C00008872 | |KNApSAcK=C00008872 | ||
}} | }} | ||
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 | 89702-01-2 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | FL63ACNS0012.mol |
| Catechin 7-O-gallate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (2R,3S) -3,5,7,3',4'-Pentahydroxyflavan 7-O-gallate |
| Common Name |
|
| Symbol | |
| Formula | C22H18O10 |
| Exact Mass | 442.089996796 |
| Average Mass | 442.37232000000006 |
| SMILES | C(C3O)c(c(OC3c(c4)ccc(c4O)O)1)c(O)cc(OC(=O)c(c2)cc |
| 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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