CHEBI:191810 - Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside

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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-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
ChEBI ID CHEBI:191810
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H40O22
Net Charge 0
Average Mass 788.661
Monoisotopic Mass 788.20112
InChI InChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2/t15?,16?,17?,19-,20+,21-,23+,24+,25+,26?,29?,30?,31+,32+,33+/m1/s1
InChIKey IQBMWEYFKNVACH-YJAOKHJISA-N
SMILES O([C@@H]1OC([C@H](O)[C@H](O)C1O[C@@H]2OC([C@@H](O)[C@H](O)C2O)CO)CO)C3[C@@H](O)[C@H](O)C(O[C@H]3OC4=C(OC=5C(C4=O)=C(O)C=C(O)C5)C6=CC(O)=C(O)C=C6)CO
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside (CHEBI:191810) is a flavonoids (CHEBI:72544)
Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside (CHEBI:191810) is a glycoside (CHEBI:24400)
IUPAC Name
3-[(2S,4S,5S)-3-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Manual Xrefs Databases
24844961 ChemSpider
LMPK12112241 LIPID MAPS
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