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CHEBI:85126 - 5,6,7,8-tetramethoxy-3',4'-methylenedioxyisoflavone

ChEBI IDCHEBI:85126
ChEBI Name5,6,7,8-tetramethoxy-3',4'-methylenedioxyisoflavone
Stars
DefinitionA methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5, 6, 7 and 8 and methylenedioxy group across positions 3' and 4'.
Last Modified2 April 2018
Submitternamrata
DownloadsMolfile
FormulaC20H18O8
Net Charge0
Average Mass386.356
Monoisotopic Mass386.10017
SMILESCOc1c(OC)c(OC)c2c(=O)c(-c3ccc4c(c3)OCO4)coc2c1OC
InChIInChI=1S/C20H18O8/c1-22-16-14-15(21)11(10-5-6-12-13(7-10)28-9-27-12)8-26-17(14)19(24-3)20(25-4)18(16)23-2/h5-8H,9H2,1-4H3
InChIKeyHWBCSFORKNCICS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
5,6,7,8-tetramethoxy-3',4'-methylenedioxyisoflavone (CHEBI:85126) has role plant metabolite (CHEBI:76924)
5,6,7,8-tetramethoxy-3',4'-methylenedioxyisoflavone (CHEBI:85126) is a 7-methoxyisoflavones (CHEBI:140356)
5,6,7,8-tetramethoxy-3',4'-methylenedioxyisoflavone (CHEBI:85126) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
3-(1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxy-4H-chromen-4-one
Registry NumbersSources
Reaxys:1409351Reaxys