input word = C00010050

Metabolite InformationStructural formula
Name Isosojagol
Formula C20H16O5
Mw 336.09977362
CAS RN 94390-15-5
C_ID C00010050 ,
InChIKey MQKLGUOASGICKG-UHFFFAOYSA-N
InChICode InChI=1S/C20H16O5/c1-10(2)3-5-12-15(22)8-7-14-17-19(25-18(12)14)13-6-4-11(21)9-16(13)24-20(17)23/h3-4,6-9,21-22H,5H2,1-2H3
SMILES CC(C)=CCc1c(O)ccc2c1oc1c3ccc(O)cc3oc(=O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaePhaseolus coccineus Ref.
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OrganismPhaseolus coccineus
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

O'Neil,Phytochem.,23,(1984),2704