C00004846 - Heteromma simplicifolium
C_ID C00004846
CAS RN 62953-00-8
Metabolite Conyzatin
Molecular Formula C20H20O9
Organism Heteromma simplicifolium
Kingdom Plantae
Family Asteraceae
Genus Heteromma
SMILES c1(cc(c2c(c1OC)oc(c(c2=O)OC)c1cc(c(c(c1)OC)OC)OC)O)O
InChI InChI=1S/C20H20O9/c1-24-12-6-9(7-13(25-2)18(12)27-4)16-20(28-5)15(23)14-10(21)8-11(22)17(26-3)19(14)29-16/h6-8,21-22H,1-5H3
InChIKey WFUOMXZWZFSZEM-UHFFFAOYSA-N
Reference Harborne, The Handbook of Natural Flavonoids, 1, (1999), 181.Flavonols;Sen,Indian J.Chem.Sect.B,14,(1976),849;Horie,Phytochem.,27,(1988),1491
Structural formula image