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CHEBI:179271 - Quercetin 3,3'-dimethyl ether 4'-(2-methylbutyrate)

ChEBI IDCHEBI:179271
ChEBI NameQuercetin 3,3'-dimethyl ether 4'-(2-methylbutyrate)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O8
Net Charge0
Average Mass414.410
Monoisotopic Mass414.13147
SMILESCCC(C)C(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1OC
InChIInChI=1S/C22H22O8/c1-5-11(2)22(26)30-15-7-6-12(8-16(15)27-3)20-21(28-4)19(25)18-14(24)9-13(23)10-17(18)29-20/h6-11,23-24H,5H2,1-4H3
InChIKeyGJXSHGNJOOZNFH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3,3'-dimethyl ether 4'-(2-methylbutyrate) (CHEBI:179271) is a ether (CHEBI:25698)
Quercetin 3,3'-dimethyl ether 4'-(2-methylbutyrate) (CHEBI:179271) is a flavonoids (CHEBI:72544)
IUPAC Name 
[4-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl] 2-methylbutanoate
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24845383ChemSpider
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