FL63AGNS0004
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | | | + | |SysName=(2R)-2,3-Dihydro-2alpha-(3,4,5-trihydroxyphenyl)-3beta-(galloyloxy)-4H-1-benzopyran-5,7-diol |
|Common Name=&&Gallocatechin 3-O-gallate&& | |Common Name=&&Gallocatechin 3-O-gallate&& | ||
|CAS=5127-64-0 | |CAS=5127-64-0 | ||
|KNApSAcK=C00008882 | |KNApSAcK=C00008882 | ||
}} | }} | ||
Revision as of 09:00, 13 May 2008
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 5127-64-0 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | FL63AGNS0004.mol |
| Gallocatechin 3-O-gallate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (2R)-2,3-Dihydro-2alpha-(3,4,5-trihydroxyphenyl)-3beta-(galloyloxy)-4H-1-benzopyran-5,7-diol |
| Common Name |
|
| Symbol | |
| Formula | C22H18O11 |
| Exact Mass | 458.084911418 |
| Average Mass | 458.37172000000004 |
| SMILES | Oc(c(O)1)cc(C(=O)OC(C2)C(c(c4)cc(O)c(O)c(O)4)Oc(c3 |
| 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
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