input word = C00052392

Metabolite InformationStructural formula
Name Ptelefolidonium
Formula C17H18NO4
Mw 300.12358307
CAS RN 59719-27-6
C_ID C00052392
InChIKey FDJCBXRVPYWIEH-UHFFFAOYSA-N
InChICode InChI=1S/C17H18NO4/c1-9(2)13-7-11-15(19-4)10-5-6-12-16(21-8-20-12)14(10)18(3)17(11)22-13/h5-6,13H,1,7-8H2,2-4H3/q+1
SMILES COC1=C2C(C(OCO3)=C3C=C2)=[N+](C)C4=C1CC(C(C)=C)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePtelea trifoliata Ref.
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