CHEBI:75653 - procyanidin B1 3'-O-gallate

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ChEBI Name procyanidin B1 3'-O-gallate
ChEBI ASCII Name procyanidin B1 3'-O-gallate
Definition A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3'S)-hydroxy group of procyanidin B1.
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)29-27(10-16)51-35(14-2-4-19(40)22(43)6-14)33(49)31(29)30-24(45)12-20(41)17-11-28(52-37(50)15-7-25(46)32(48)26(47)8-15)34(53-36(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,28,31,33-35,38-49H,11H2/t28-,31+,33+,34+,35+/m0/s1
SMILES O[C@H]1[C@H](Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(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 B1 3'-O-gallate (CHEBI:75653) has functional parent gallic acid (CHEBI:30778)
procyanidin B1 3'-O-gallate (CHEBI:75653) has functional parent procyanidin B1 (CHEBI:75633)
procyanidin B1 3'-O-gallate (CHEBI:75653) has role metabolite (CHEBI:25212)
procyanidin B1 3'-O-gallate (CHEBI:75653) is a biflavonoid (CHEBI:50128)
procyanidin B1 3'-O-gallate (CHEBI:75653) is a gallate ester (CHEBI:37576)
procyanidin B1 3'-O-gallate (CHEBI:75653) is a polyphenol (CHEBI:26195)
procyanidin B1 3'-O-gallate (CHEBI:75653) is a proanthocyanidin (CHEBI:26267)
(2R,2'R,3R,3'S,4R)-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
(−)-epicatechin-(4β→8)-(+)-catechin-3'-O-gallate ChEBI
Registry Number Type Source
6765100 Reaxys Registry Number Reaxys
Last Modified
25 November 2013