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

ChEBI IDCHEBI:4807
ChEBI NameEpigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC37H30O17
Net Charge0
Average Mass746.630
Monoisotopic Mass746.14830
SMILESO=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1
InChIInChI=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
InChIKeyLQQNPVZIFKLQPE-RGOYVLDUSA-N
Roles Classification
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-(4beta->8)-epicatechin-3-O-gallate ester (CHEBI:4807) is a proanthocyanidin (CHEBI:26267)
Synonym  Source
Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate esterKEGG COMPOUND
Manual XrefsDatabases
C10223KEGG COMPOUND
C00002919KNApSAcK
HMDB0037650HMDB
Registry NumbersSources
CAS:126715-82-0KEGG COMPOUND