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CHEBI:75666 - (+)-gallocatechin-(4α→8)-(−)-epicatechin

ChEBI IDCHEBI:75666
ChEBI Name(+)-gallocatechin-(4α→8)-(−)-epicatechin
Stars
ASCII Name(+)-gallocatechin-(4alpha->8)-(-)-epicatechin
DefinitionA proanthocyanidin consisting of (+)-gallocatechin and (−)-epicatechin units joined by a (4α→8)-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)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2
InChIInChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25+,27+,28-,29-/m1/s1
InChIKeyZYDDITZPGFXQSD-QKFRQTJPSA-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)
(+)-gallocatechin-(4α→8)-(−)-epicatechin (CHEBI:75666) has functional parent (+)-gallocatechin (CHEBI:31018)
(+)-gallocatechin-(4α→8)-(−)-epicatechin (CHEBI:75666) has functional parent (−)-epicatechin (CHEBI:90)
(+)-gallocatechin-(4α→8)-(−)-epicatechin (CHEBI:75666) has role metabolite (CHEBI:25212)
(+)-gallocatechin-(4α→8)-(−)-epicatechin (CHEBI:75666) is a biflavonoid (CHEBI:50128)
(+)-gallocatechin-(4α→8)-(−)-epicatechin (CHEBI:75666) is a hydroxyflavan (CHEBI:72010)
(+)-gallocatechin-(4α→8)-(−)-epicatechin (CHEBI:75666) is a polyphenol (CHEBI:26195)
(+)-gallocatechin-(4α→8)-(−)-epicatechin (CHEBI:75666) is a proanthocyanidin (CHEBI:26267)
IUPAC Name 
(2R,2'R,3S,3'R,4S)-2'-(3,4-dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol
Registry NumbersSources
Reaxys:4777422Reaxys