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 COc1c(-c2ccc(O)c(O)c2)oc2c3c(cc(O)c2c1=O)OCO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeRutaceaeMelicope mantellii Ref.
PlantaeRutaceaeMelicope ternata Ref.
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