input word = C00005053

Metabolite InformationStructural formula
Name Melisimplin
5-Hydroxy-3,6,7-trimethoxy-3',4'-(methylenedioxy)flavone
2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one
Formula C19H16O8
Mw 372.08451749
CAS RN 485-53-0
C_ID C00005053 ,
InChIKey QRTSJZTUEHLBPF-UHFFFAOYSA-N
InChICode InChI=1S/C19H16O8/c1-22-13-7-12-14(15(20)18(13)23-2)16(21)19(24-3)17(27-12)9-4-5-10-11(6-9)26-8-25-10/h4-7,20H,8H2,1-3H3
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1cc2c(cc1)OCO2)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMelicope broadbentiana Ref.
PlantaeRutaceaeMelicope simplex Ref.
PlantaeRutaceaeMelicope ternata Ref.
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