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

ChEBI IDCHEBI:68142
ChEBI Nameepigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate
Stars
DefinitionA natural product found in Parapiptadenia rigida and Myrica rubra.
Last Modified22 September 2014
DownloadsMolfile
FormulaC37H30O18
Net Charge0
Average Mass762.629
Monoisotopic Mass762.14321
SMILESO=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
InChIInChI=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
InChIKeyJSBXKZFDEDBAQA-WUFIRYPCSA-N
Species of MetaboliteComponentSourceComments
Parapiptadenia rigida (ncbitaxon:148713) bark (BTO:0001301) PubMed (21553897) EtOH extract of air-dried and powdered bark
Morella rubra (ncbitaxon:262757) bark (BTO:0001301) PubMed (21553897)
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)-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 esterChEBI
Citations