CHEBI:168270 - Quercetagetin 3-methyl ether

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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 Quercetagetin 3-methyl ether
ChEBI ID CHEBI:168270
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H12O8
Net Charge 0
Average Mass 332.264
Monoisotopic Mass 332.05322
InChI InChI=1S/C16H12O8/c1-23-16-14(22)11-10(5-9(19)12(20)13(11)21)24-15(16)6-2-3-7(17)8(18)4-6/h2-5,17-21H,1H3
InChIKey QZAXKZRZMAXPSF-UHFFFAOYSA-N
SMILES O1C2=C(C(=O)C(OC)=C1C3=CC(O)=C(O)C=C3)C(O)=C(O)C(O)=C2
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Quercetagetin 3-methyl ether (CHEBI:168270) is a ether (CHEBI:25698)
Quercetagetin 3-methyl ether (CHEBI:168270) is a flavonoids (CHEBI:72544)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-methoxychromen-4-one
Manual Xrefs Databases
4478546 ChemSpider
LMPK12112984 LIPID MAPS
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Registry Number Type Source
64190-88-1 CAS Registry Number ChemIDplus