FL63ACNS0023
From Metabolomics.JP
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|SysName= (2R,3S) -3,5,7,3',4'-Pentahydroxyflavan 3-O- (1,6-dihydroxy-2-cyclohexene-1-carboxylate) | |SysName= (2R,3S) -3,5,7,3',4'-Pentahydroxyflavan 3-O- (1,6-dihydroxy-2-cyclohexene-1-carboxylate) | ||
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 | 99257-73-5 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | FL63ACNS0023.mol |
| Catechin 3-O- (1,6-dihydroxy-2-cyclohexene-1-carboxylate) | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (2R,3S) -3,5,7,3',4'-Pentahydroxyflavan 3-O- (1,6-dihydroxy-2-cyclohexene-1-carboxylate) |
| Common Name |
|
| Symbol | |
| Formula | C22H22O9 |
| Exact Mass | 430.126382302 |
| Average Mass | 430.40468000000004 |
| SMILES | c(c1)(O)cc(O3)c(CC(C3c(c4)ccc(c4O)O)OC(=O)C(O)(C=2 |
| 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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