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CHEBI:75673 - (−)-epigallocatechin-(4β→6)-(+)-catechin

ChEBI IDCHEBI:75673
ChEBI Name(−)-epigallocatechin-(4β→6)-(+)-catechin
Stars
ASCII Name(-)-epigallocatechin-(4beta->6)-(+)-catechin
DefinitionA proanthocyanidin consisting of (−)-epigallocatechin and (+)-catechin units joined by a (4α→6)-linkage.
Last Modified25 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC30H26O13
Net Charge0
Average Mass594.525
Monoisotopic Mass594.13734
SMILESOc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2
InChIInChI=1S/C30H26O13/c31-12-6-16(34)23-22(7-12)43-30(11-4-18(36)27(40)19(37)5-11)28(41)25(23)24-17(35)9-21-13(26(24)39)8-20(38)29(42-21)10-1-2-14(32)15(33)3-10/h1-7,9,20,25,28-41H,8H2/t20-,25+,28+,29+,30+/m0/s1
InChIKeySNJZSALXDDQVRR-DJUYLCBNSA-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)
(−)-epigallocatechin-(4β→6)-(+)-catechin (CHEBI:75673) has functional parent (+)-catechin (CHEBI:15600)
(−)-epigallocatechin-(4β→6)-(+)-catechin (CHEBI:75673) has functional parent (−)-epigallocatechin (CHEBI:42255)
(−)-epigallocatechin-(4β→6)-(+)-catechin (CHEBI:75673) has role metabolite (CHEBI:25212)
(−)-epigallocatechin-(4β→6)-(+)-catechin (CHEBI:75673) is a biflavonoid (CHEBI:50128)
(−)-epigallocatechin-(4β→6)-(+)-catechin (CHEBI:75673) is a hydroxyflavan (CHEBI:72010)
(−)-epigallocatechin-(4β→6)-(+)-catechin (CHEBI:75673) is a polyphenol (CHEBI:26195)
(−)-epigallocatechin-(4β→6)-(+)-catechin (CHEBI:75673) is a proanthocyanidin (CHEBI:26267)
Registry NumbersSources
Reaxys:9464607Reaxys