input word = C00005056

Metabolite InformationStructural formula
Name Wharangin
Formula C17H12O8
Mw 344.05321736
CAS RN 571-73-3
C_ID C00005056 ,
InChIKey NOZQEJFGIXKUPM-UHFFFAOYSA-N
InChICode InChI=1S/C17H12O8/c1-22-17-13(21)12-10(20)5-11-15(24-6-23-11)16(12)25-14(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3
SMILES c12cc(c3c(c1OCO2)oc(c(c3=O)OC)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeRutaceaeMelicope mantellii Ref.
PlantaeRutaceaeMelicope ternata Ref.
zoom in



OrganismMelicope mantellii
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 181.Flavonols

Briggs,J.Chem.Soc.,(1949),2157

Cambie,J.Chem.Soc.,(1960),2376