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CHEBI:169073 - 3',4',5,7,8-Pentamethoxyflavanone

ChEBI IDCHEBI:169073
ChEBI Name3',4',5,7,8-Pentamethoxyflavanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O7
Net Charge0
Average Mass374.389
Monoisotopic Mass374.13655
SMILESCOc1ccc(C2CC(=O)c3c(OC)cc(OC)c(OC)c3O2)cc1OC
InChIInChI=1S/C20H22O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-8,10,14H,9H2,1-5H3
InChIKeyKDAYBJYBUBBFCG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3',4',5,7,8-Pentamethoxyflavanone (CHEBI:169073) is a ether (CHEBI:25698)
3',4',5,7,8-Pentamethoxyflavanone (CHEBI:169073) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
35013511ChemSpider
HMDB0032869HMDB