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CHEBI:8877 - Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol

ChEBI IDCHEBI:8877
ChEBI NameRobinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC45H38O18
Net Charge0
Average Mass866.781
Monoisotopic Mass866.20581
SMILESOc1ccc2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)c2c(c([C@@H]3c4ccc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@H]3O)c1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2
InChIInChI=1S/C45H38O18/c46-18-2-4-20-30(12-18)61-43(16-8-25(50)37(56)26(51)9-16)40(59)32(20)34-36(55)22-14-29(54)42(15-1-6-23(48)24(49)7-15)63-45(22)35(39(34)58)33-21-5-3-19(47)13-31(21)62-44(41(33)60)17-10-27(52)38(57)28(53)11-17/h1-13,29,32-33,40-44,46-60H,14H2/t29-,32-,33-,40-,41-,42+,43+,44+/m0/s1
InChIKeyQZNRDKYJASOYMZ-BLBVDZAISA-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)
Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol (CHEBI:8877) is a proanthocyanidin (CHEBI:26267)
Synonym  Source
Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidolKEGG COMPOUND
Manual XrefsDatabases
C10239KEGG COMPOUND
C00002936KNApSAcK
Registry NumbersSources
CAS:85820-29-7KEGG COMPOUND