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CHEBI:10550 - ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol

ChEBI IDCHEBI:10550
ChEBI Nameent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC45H38O16
Net Charge0
Average Mass834.783
Monoisotopic Mass834.21599
SMILESOc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c([C@H]3c4ccc(O)cc4O[C@@H](c4ccc(O)c(O)c4)[C@@H]3O)c1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2
InChIInChI=1S/C45H38O16/c46-20-4-6-22-32(14-20)59-43(18-2-9-26(49)29(52)12-18)40(57)34(22)36-38(55)24-16-31(54)42(17-1-8-25(48)28(51)11-17)61-45(24)37(39(36)56)35-23-7-5-21(47)15-33(23)60-44(41(35)58)19-3-10-27(50)30(53)13-19/h1-15,31,34-35,40-44,46-58H,16H2/t31-,34+,35+,40+,41+,42+,43+,44-/m0/s1
InChIKeyVYURQCQMACPHRC-FXDUNFGRSA-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)
ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol (CHEBI:10550) is a proanthocyanidin (CHEBI:26267)
Synonym  Source
ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidolKEGG COMPOUND
Manual XrefsDatabases
C10225KEGG COMPOUND
C00002921KNApSAcK
Registry NumbersSources
CAS:88269-47-0KEGG COMPOUND