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CHEBI:66287 - quercetin 3-O-(2'',3''-digalloyl)-β-D-galactopyranoside

ChEBI IDCHEBI:66287
ChEBI Namequercetin 3-O-(2'',3''-digalloyl)-β-D-galactopyranoside
Stars
ASCII Namequercetin 3-O-(2'',3''-digalloyl)-beta-D-galactopyranoside
DefinitionA quercetin O-glycoside that consists of quercetin attached to a (2'',3''-digalloyl)-β-D-galactopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Euphorbia lunulata, it exhibits insulin-like activity.
Last Modified6 November 2014
DownloadsMolfile
FormulaC35H28O20
Net Charge0
Average Mass768.589
Monoisotopic Mass768.11739
SMILESO=C(O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@H](O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C35H28O20/c36-10-23-27(47)30(53-33(49)12-4-18(41)25(45)19(42)5-12)32(54-34(50)13-6-20(43)26(46)21(44)7-13)35(52-23)55-31-28(48)24-17(40)8-14(37)9-22(24)51-29(31)11-1-2-15(38)16(39)3-11/h1-9,23,27,30,32,35-47H,10H2/t23-,27+,30+,32-,35+/m1/s1
InChIKeySDOROZFSWAADKQ-KSDGWNODSA-N
Species of MetaboliteComponentSourceComments
Euphorbia lunulata (ncbitaxon:526197) whole plant (BTO:0001461) PubMed (15744103)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
quercetin 3-O-(2'',3''-digalloyl)-β-D-galactopyranoside (CHEBI:66287) has role plant metabolite (CHEBI:76924)
quercetin 3-O-(2'',3''-digalloyl)-β-D-galactopyranoside (CHEBI:66287) is a gallate ester (CHEBI:37576)
quercetin 3-O-(2'',3''-digalloyl)-β-D-galactopyranoside (CHEBI:66287) is a quercetin O-glycoside (CHEBI:76424)
quercetin 3-O-(2'',3''-digalloyl)-β-D-galactopyranoside (CHEBI:66287) is a β-D-galactoside (CHEBI:28034)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-galactopyranoside
Registry NumbersSources
Reaxys:10143669Reaxys
Citations