FL63ACNS0005
From Metabolomics.JP
| 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 | 25615-05-8 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | FL63ACNS0005.mol |
| Catechin 3-O-gallate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (2R) -2alpha- (3,4-Dihydroxyphenyl) -3,4-dihydro-2H-1-benzopyran-3beta,5,7-triol 3- (3,4,5-trihydroxybenzoate) |
| Common Name |
|
| 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 | |
| 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 | ||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
