input word = C00009768

Metabolite InformationStructural formula
Name 3-Hydroxy-8,9-dimethoxycoumestan
Formula C17H12O6
Mw 312.06338812
CAS RN 5252-40-4
C_ID C00009768 ,
InChIKey PKLPURDVDNBFCI-UHFFFAOYSA-N
InChICode InChI=1S/C17H12O6/c1-20-13-6-10-12(7-14(13)21-2)22-16-9-4-3-8(18)5-11(9)23-17(19)15(10)16/h3-7,18H,1-2H3
SMILES c1(ccc2c(c1)oc(=O)c1c2oc2c1cc(c(c2)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaeMelilotus messanensis Ref.
PlantaeFabaceaeMyroxylon balsamum Ref.
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OrganismMyroxylon balsamum
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

Biggs,Aust.J.Chem.,28,(1975),1389

Spencer,J.Org.Chem.,31,(1966),988

Olah,Phytopatholog.,61,(1971),65