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CHEBI:191600 - 5-Hydroxy-3,3',4',6,7,8-hexamethoxyflavone

Default Structure
ChEBI IDCHEBI:191600
ChEBI Name5-Hydroxy-3,3',4',6,7,8-hexamethoxyflavone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O9
Net Charge0
Average Mass418.398
Monoisotopic Mass418.12638
SMILESCOc1ccc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
InChIInChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-18(26-3)14(22)13-15(23)19(27-4)21(29-6)20(28-5)17(13)30-16/h7-9,23H,1-6H3
InChIKeyJDVPHCLYMGBZLE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
5-Hydroxy-3,3',4',6,7,8-hexamethoxyflavone (CHEBI:191600) is a ether (CHEBI:25698)
5-Hydroxy-3,3',4',6,7,8-hexamethoxyflavone (CHEBI:191600) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one
Manual XrefsDatabases
120189ChemSpider
HMDB0030161HMDB
LMPK12113343LIPID MAPS
Registry NumbersSources
CAS:1176-88-1ChemIDplus