FL63ACNS0005
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|SysName=(2R)-2alpha-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3beta,5,7-triol 3-(3,4,5-trihydroxybenzoate) | |SysName=(2R)-2alpha-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3beta,5,7-triol 3-(3,4,5-trihydroxybenzoate) | ||
| − | |Common Name=&&Catechin 3-O-gallate&& | + | |Common Name=&&Catechin 3-O-gallate&&(2R)-2alpha-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3beta,5,7-triol 3-(3,4,5-trihydroxybenzoate)&& |
|CAS=25615-05-8 | |CAS=25615-05-8 | ||
|KNApSAcK=C00008865 | |KNApSAcK=C00008865 | ||
}} | }} | ||
Revision as of 09:00, 15 May 2008
| 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 | ||||||||||||||||||||||||||||||||||||
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