CHEBI:75656 - procyanidin B3 3-O-gallate

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ChEBI Name procyanidin B3 3-O-gallate
ChEBI ASCII Name procyanidin B3 3-O-gallate
Definition A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of procyanidin B3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C37H30O16
Net Charge 0
Average Mass 730.62450
Monoisotopic Mass 730.15338
InChI InChI=1S/C37H30O16/c38-16-9-23(44)29-28(10-16)51-34(14-2-4-19(40)22(43)6-14)36(53-37(50)15-7-25(46)32(49)26(47)8-15)31(29)30-24(45)12-20(41)17-11-27(48)33(52-35(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,27,31,33-34,36,38-49H,11H2/t27-,31-,33+,34+,36-/m0/s1
SMILES O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing procyanidin B3 3-O-gallate (CHEBI:75656) has functional parent gallic acid (CHEBI:30778)
procyanidin B3 3-O-gallate (CHEBI:75656) has functional parent procyanidin B3 (CHEBI:75630)
procyanidin B3 3-O-gallate (CHEBI:75656) has role metabolite (CHEBI:25212)
procyanidin B3 3-O-gallate (CHEBI:75656) is a biflavonoid (CHEBI:50128)
procyanidin B3 3-O-gallate (CHEBI:75656) is a gallate ester (CHEBI:37576)
procyanidin B3 3-O-gallate (CHEBI:75656) is a polyphenol (CHEBI:26195)
procyanidin B3 3-O-gallate (CHEBI:75656) is a proanthocyanidin (CHEBI:26267)
(2R,2'R,3S,3'S,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromen-3-yl 3,4,5-trihydroxybenzoate
Synonym Source
(+)-catechin-(4α→8)-(+)-catechin-3-O-gallate ChEBI
Registry Number Type Source
6766651 Reaxys Registry Number Reaxys
Last Modified
25 November 2013