input word = C00009767

Metabolite InformationStructural formula
Name Wairol
3-Hydroxy-7,9-dimethoxycoumestan
7-Hydroxy-10,12-dimethoxycoumestan
Formula C17H12O6
Mw 312.06338812
CAS RN 77331-73-8
C_ID C00009767 ,
InChIKey GYNHMEBOILXPQT-UHFFFAOYSA-N
InChICode InChI=1S/C17H12O6/c1-20-9-6-12(21-2)14-13(7-9)22-16-10-4-3-8(18)5-11(10)23-17(19)15(14)16/h3-7,18H,1-2H3
SMILES COc1cc(OC)c2c(c1)oc1c3ccc(O)cc3oc(=O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisAscochyta imperfecta Ref.
PlantaeFabaceaeMedicago sativa Ref.
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OrganismAscochyta imperfecta
ReferenceBickoff,E.M.et al.,J.Pharm.Sci.,53,(1964),1496