FL63ACNS0006
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|SysName= (2R) -3,4-Dihydro-2alpha- (3,4-dihydroxyphenyl) -2H-1-benzopyran-3alpha,5,7-triol 3- (3,4,5-trihydroxybenzoate) | |SysName= (2R) -3,4-Dihydro-2alpha- (3,4-dihydroxyphenyl) -2H-1-benzopyran-3alpha,5,7-triol 3- (3,4,5-trihydroxybenzoate) | ||
| − | |Common Name=&& (-)-Epicatechin 3-O-gallate&&ECG&&3-O-Galloylepicatechin&& | + | |Common Name=&& (-)-Epicatechin 3-O-gallate&&ECG&&3-O-Galloylepicatechin&&(2R,3R) -2- (3,4-Dihydroxyphenyl) -5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl-3,4,5-trihydroxybenzoate |
|CAS=1257-08-5 | |CAS=1257-08-5 | ||
|KNApSAcK=C00008866 | |KNApSAcK=C00008866 | ||
}} | }} | ||
Revision as of 14:12, 15 August 2012
| 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 | 1257-08-5 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | FL63ACNS0006.mol |
| (-)-Epicatechin 3-O-gallate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (2R) -3,4-Dihydro-2alpha- (3,4-dihydroxyphenyl) -2H-1-benzopyran-3alpha,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 | |
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