input word = C00001857

Metabolite InformationStructural formula
Name Fagaronine
Formula C21H20NO4
Mw 350.13923313
CAS RN 52259-65-1
C_ID C00001857 ,
InChIKey OOKZVPUCASIEBL-UHFFFAOYSA-O
InChICode InChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22/h5-11H,1-4H3/p+1
SMILES c1c(c(cc2c1c1c([n+](c2)C)c2c(cc1)cc(c(c2)OC)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeRutaceaeFagara xanthoxyloides Ref.
PlantaeRutaceaeFagara zanthoxyloides Ref.
PlantaeRutaceaeZanthoxylum zanthoxyloides Ref.
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OrganismZanthoxylum zanthoxyloides
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21