CHEBI:179270 - Quercetin 3,3'-dimethyl ether 4'-isovalerate

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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 3,3'-dimethyl ether 4'-isovalerate
ChEBI ID CHEBI:179270
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H22O8
Net Charge 0
Average Mass 414.410
Monoisotopic Mass 414.13147
InChI InChI=1S/C22H22O8/c1-11(2)7-18(25)29-15-6-5-12(8-16(15)27-3)21-22(28-4)20(26)19-14(24)9-13(23)10-17(19)30-21/h5-6,8-11,23-24H,7H2,1-4H3
InChIKey ZQXNTAIEPXSPBP-UHFFFAOYSA-N
SMILES O1C(C2=CC(OC)=C(OC(=O)CC(C)C)C=C2)=C(OC)C(=O)C=3C1=CC(O)=CC3O
ChEBI Ontology
Outgoing Quercetin 3,3'-dimethyl ether 4'-isovalerate (CHEBI:179270) is a ether (CHEBI:25698)
Quercetin 3,3'-dimethyl ether 4'-isovalerate (CHEBI:179270) is a flavonoids (CHEBI:72544)
IUPAC Name
[4-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl] 3-methylbutanoate
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