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CHEBI:75670 - (−)-epicatechin-(4β→8)-(−)-epigallocatechin
| Formula | C30H26O13 |
| Net Charge | 0 |
| Average Mass | 594.525 |
| Monoisotopic Mass | 594.13734 |
| SMILES | Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2 |
| InChI | InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(10-1-2-14(32)16(34)3-10)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)11-4-19(37)26(40)20(38)5-11/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25-,27-,28-,29-/m1/s1 |
| InChIKey | YJMNEZANCYQLJR-GYPOYYOSSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (−)-epicatechin-(4β→8)-(−)-epigallocatechin (CHEBI:75670) has functional parent (−)-epicatechin (CHEBI:90) |
| (−)-epicatechin-(4β→8)-(−)-epigallocatechin (CHEBI:75670) has functional parent (−)-epigallocatechin (CHEBI:42255) |
| (−)-epicatechin-(4β→8)-(−)-epigallocatechin (CHEBI:75670) has role metabolite (CHEBI:25212) |
| (−)-epicatechin-(4β→8)-(−)-epigallocatechin (CHEBI:75670) is a biflavonoid (CHEBI:50128) |
| (−)-epicatechin-(4β→8)-(−)-epigallocatechin (CHEBI:75670) is a hydroxyflavan (CHEBI:72010) |
| (−)-epicatechin-(4β→8)-(−)-epigallocatechin (CHEBI:75670) is a polyphenol (CHEBI:26195) |
| (−)-epicatechin-(4β→8)-(−)-epigallocatechin (CHEBI:75670) is a proanthocyanidin (CHEBI:26267) |
| IUPAC Name |
|---|
| (2R,2'R,3R,3'R,4R)-2-(3,4-dihydroxyphenyl)-2'-(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6049832 | Reaxys |