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CHEBI:68143 - epigallocatechin-(4beta->8)-4'-O-methylgallocatechin

ChEBI IDCHEBI:68143
ChEBI Nameepigallocatechin-(4beta->8)-4'-O-methylgallocatechin
Stars
DefinitionA natural product found in Parapiptadenia rigida.
Last Modified22 September 2014
DownloadsMolfile
FormulaC31H28O14
Net Charge0
Average Mass624.551
Monoisotopic Mass624.14791
SMILESCOc1c(O)cc([C@H]2Oc3c(c(O)cc(O)c3[C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)C[C@@H]2O)cc1O
InChIInChI=1S/C31H28O14/c1-43-31-19(38)4-10(5-20(31)39)28-21(40)8-13-14(33)9-16(35)24(30(13)45-28)25-23-15(34)6-12(32)7-22(23)44-29(27(25)42)11-2-17(36)26(41)18(37)3-11/h2-7,9,21,25,27-29,32-42H,8H2,1H3/t21-,25+,27+,28+,29+/m0/s1
InChIKeyOBBZIYVNMBINSR-JBOGGYFWSA-N
Species of MetaboliteComponentSourceComments
Parapiptadenia rigida (ncbitaxon:148713) bark (BTO:0001301) PubMed (21553897) EtOH extract of air-dried and powdered bark
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)
epigallocatechin-(4beta->8)-4'-O-methylgallocatechin (CHEBI:68143) has role metabolite (CHEBI:25212)
epigallocatechin-(4beta->8)-4'-O-methylgallocatechin (CHEBI:68143) is a proanthocyanidin (CHEBI:26267)
Synonym  Source
(2R,2'R,3R,3'S,4R)-2'-(3,5-Dihydroxy-4-methoxyphenyl)-2-(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexolChEBI
Citations