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CHEBI:141137 - quercetin-3-O-(6''-O-caffeoyl)-galactoside

ChEBI IDCHEBI:141137
ChEBI Namequercetin-3-O-(6''-O-caffeoyl)-galactoside
Stars
ASCII Namequercetin-3-O-(6''-O-caffeoyl)-galactoside
Last Modified25 June 2018
Submittermwilliams
DownloadsMolfile
FormulaC30H26O15
Net Charge0
Average Mass626.523
Monoisotopic Mass626.12717
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H26O15/c31-14-9-19(36)23-20(10-14)43-28(13-3-5-16(33)18(35)8-13)29(25(23)39)45-30-27(41)26(40)24(38)21(44-30)11-42-22(37)6-2-12-1-4-15(32)17(34)7-12/h1-10,21,24,26-27,30-36,38,40-41H,11H2/b6-2+/t21-,24-,26+,27-,30+/m1/s1
InChIKeyIHBVMUCQCZEAPW-PFNFWJRHSA-N
ChEBI Ontology
Outgoing Relation(s)
quercetin-3-O-(6''-O-caffeoyl)-galactoside (CHEBI:141137) is a quercetin O-glucoside (CHEBI:64621)