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

ChEBI IDCHEBI:179270
ChEBI NameQuercetin 3,3'-dimethyl ether 4'-isovalerate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O8
Net Charge0
Average Mass414.410
Monoisotopic Mass414.13147
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)ccc1OC(=O)CC(C)C
InChIInChI=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
InChIKeyZQXNTAIEPXSPBP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
LMPK12112742LIPID MAPS
24845384ChemSpider