CHEBI:68142 - epigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate

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ChEBI Name epigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate
ChEBI ID CHEBI:68142
Definition A natural product found in Parapiptadenia rigida and Myrica rubra.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H30O18
Net Charge 0
Average Mass 762.62330
Monoisotopic Mass 762.14321
InChI InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1
InChIKey JSBXKZFDEDBAQA-WUFIRYPCSA-N
SMILES O[C@H]1[C@H](Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Metabolite of Species Details
Parapiptadenia rigida (NCBI:txid148713) Found in bark (BTO:0001301). EtOH extract of air-dried and powdered bark See: PubMed
Morella rubra (NCBI:txid262757) Found in bark (BTO:0001301). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing epigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate (CHEBI:68142) has role metabolite (CHEBI:25212)
epigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate (CHEBI:68142) is a proanthocyanidin (CHEBI:26267)
Synonym Source
3,4,5-Trihydroxy-benzoic acid (2R,3R,4R,2'R,3'R)-3,5,7,5',7'-pentahydroxy-2,2'-bis-(3,4,5-trihydroxy-phenyl)-3,4,3',4'-tetrahydro-2H,2'H-[4,8']bichromenyl-3'-yl ester ChEBI
Citation Waiting for Citations Type Source
21553897 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:flavonoid oligomer(CHEBI:72720); ISA:catechin(CHEBI:23053); ISA:hydroxyflavonoid(CHEBI:71968); ISA:gallate ester(CHEBI:37576); ISA:1-benzopyran(CHEBI:38443); ISA:benzoate ester(CHEBI:36054); ISA:benzenetriol(CHEBI:22707); ISA:benzyl ether(CHEBI:59859); ISA:resorcinols(CHEBI:33572); ISA:catechols(CHEBI:33566); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:aromatic alcohol(CHEBI:33854);