input word = C00004110

Metabolite InformationStructural formula
Name Aequinetin
Formula C21H20O9
Mw 416.11073224
CAS RN 31025-53-3
C_ID C00004110 ,
InChIKey PIJHQWMTZXDYER-OHPGNTIMNA-N
InChICode InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1
SMILES O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCytisus baeticus Ref.
PlantaeFabaceaeSpartium junceum Ref.
PlantaeRosaceaePrunus aequinoctialis Ref.
PlantaeRosaceaePrunus avium Ref.
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OrganismPrunus aequinoctialis
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 3.Flavone O-glycosides, John Wiley & Son

Hasegawa,J.Am.Chem.Soc.,79,(1957),1738