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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name quercetin-3-O-(6''-O-caffeoyl)-galactoside
ChEBI ID CHEBI:141137
ChEBI ASCII Name quercetin-3-O-(6''-O-caffeoyl)-galactoside
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C30H26O15
Net Charge 0
Average Mass 626.520
Monoisotopic Mass 626.12717
InChI InChI=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
InChIKey IHBVMUCQCZEAPW-PFNFWJRHSA-N
SMILES C=1C=2OC(=C(C(C2C(O)=CC1O)=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)COC(/C=C/C4=CC(=C(C=C4)O)O)=O)C=5C=C(C(=CC5)O)O
ChEBI Ontology
Outgoing quercetin-3-O-(6''-O-caffeoyl)-galactoside (CHEBI:141137) is a quercetin O-glucoside (CHEBI:64621)
Last Modified
25 June 2018