input word = C00010047

Metabolite InformationStructural formula
Name Isorobustin 4-methyl ether
4-O-Methylisorobustin
Formula C23H20O7
Mw 408.12090299
CAS RN 78648-15-4
C_ID C00010047 ,
InChIKey QPBYIRHDUCNWKE-UHFFFAOYSA-N
InChICode InChI=1S/C23H20O7/c1-23(2)8-7-13-15(30-23)10-17(25-3)19-20(13)29-22(24)18(21(19)26-4)12-5-6-14-16(9-12)28-11-27-14/h5-10H,11H2,1-4H3
SMILES c12cc(c3c(c1C=CC(O2)(C)C)oc(=O)c(c3OC)c1ccc2c(c1)OCO2)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDerris spruceana Ref.
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OrganismDerris spruceana
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

Garcia,Phytochem.,25,(1986),2425