CHEBI:4807 - Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester

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ChEBI Name Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
ChEBI ID CHEBI:4807
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H30O17
Net Charge 0
Average Mass 746.625
Monoisotopic Mass 746.14830
InChI InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(13-4-22(44)31(48)23(45)5-13)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,27,30,33-35,38-50H,10H2/t27-,30-,33-,34-,35-/m1/s1
InChIKey LQQNPVZIFKLQPE-RGOYVLDUSA-N
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)c1cc(O)c(O)c(O)c1
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester (CHEBI:4807) is a proanthocyanidin (CHEBI:26267)
Synonym Source
Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester KEGG COMPOUND
Manual Xrefs Databases
C00002919 KNApSAcK
C10223 KEGG COMPOUND
HMDB0037650 HMDB
View more database links
Registry Number Type Source
126715-82-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014