input word = C00005054

Metabolite InformationStructural formula
Name Melisimplexin
3,5,6,7-Tetramethoxy-3',4'-methylenedioxyflavone
2-(1,3-Benzodioxol-5-yl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one
Formula C20H18O8
Mw 386.10016755
CAS RN 479-77-6
C_ID C00005054 ,
InChIKey ATKXYPOHHYVHEQ-UHFFFAOYSA-N
InChICode InChI=1S/C20H18O8/c1-22-14-8-13-15(19(24-3)18(14)23-2)16(21)20(25-4)17(28-13)10-5-6-11-12(7-10)27-9-26-11/h5-8H,9H2,1-4H3
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1cc2c(cc1)OCO2)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMelicope broadbentiana Ref.
PlantaeRutaceaeMelicope octandra Ref.
PlantaeRutaceaeMelicope simplex Ref.
PlantaeRutaceaeMelicope subunifoliolata (Stapf) T.G.Hartley Ref.
PlantaeRutaceaeMelicope ternata Ref.
PlantaeRutaceaeMelicope triphylla Ref.
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