CHEBI:191744 - Quercetagitrin

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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 Quercetagitrin
ChEBI ID CHEBI:191744
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H20O13
Net Charge 0
Average Mass 480.378
Monoisotopic Mass 480.09039
InChI InChI=1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2/t11-,14-,17+,19-,21-/m1/s1
InChIKey IDTDRZPBDLMCLB-HSOQPIRZSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2O)C4=CC(O)=C(O)C=C4)CO
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing Quercetagitrin (CHEBI:191744) is a flavonoids (CHEBI:72544)
Quercetagitrin (CHEBI:191744) is a glycoside (CHEBI:24400)
IUPAC Name
2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Synonym Source
Quercetagetin-7-O-glucoside ChEBI
Manual Xrefs Databases
4478801 ChemSpider
LMPK12112906 LIPID MAPS
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Registry Number Type Source
548-75-4 CAS Registry Number ChemIDplus
Last Modified
06 August 2023