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CHEBI:68144 - epicatechin-(4beta->8)-4'-O-methylgallocatechin

ChEBI IDCHEBI:68144
ChEBI Nameepicatechin-(4beta->8)-4'-O-methylgallocatechin
Stars
DefinitionA natural product found in Parapiptadenia rigida.
Last Modified22 September 2014
DownloadsMolfile
FormulaC31H28O13
Net Charge0
Average Mass608.552
Monoisotopic Mass608.15299
SMILESCOc1c(O)cc([C@H]2Oc3c(c(O)cc(O)c3[C@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)C[C@@H]2O)cc1O
InChIInChI=1S/C31H28O13/c1-42-31-20(38)5-12(6-21(31)39)28-22(40)9-14-16(34)10-19(37)25(30(14)44-28)26-24-18(36)7-13(32)8-23(24)43-29(27(26)41)11-2-3-15(33)17(35)4-11/h2-8,10,22,26-29,32-41H,9H2,1H3/t22-,26+,27+,28+,29+/m0/s1
InChIKeyADKHKBZKHGJXDZ-UKWJTHFESA-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)
epicatechin-(4beta->8)-4'-O-methylgallocatechin (CHEBI:68144) has role metabolite (CHEBI:25212)
epicatechin-(4beta->8)-4'-O-methylgallocatechin (CHEBI:68144) is a proanthocyanidin (CHEBI:26267)
Synonym  Source
(2R,2'R,3R,3'S,4R)-2'-(3,5-Dihydroxy-4-methoxyphenyl)-2-(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexolChEBI
Citations