input word = C00027599

Metabolite InformationStructural formula
Name Usambanoline
Formula C21H22NO5
Mw 368.14979782
CAS RN 174204-34-3
C_ID C00027599 ,
InChIKey IMIQYRZGXCTZBB-UHFFFAOYSA-N
InChICode InChI=1S/C21H22NO5/c1-22-11-16-13(4-5-18(24-2)21(16)25-3)8-17(22)15-10-20-19(26-12-27-20)9-14(15)6-7-23/h4-5,8-11,23H,6-7,12H2,1-3H3/q+1
SMILES COc1ccc2cc(-c3cc4c(cc3CCO)OCO4)[n+](C)cc2c1OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum chaylbeum Ref.
PlantaeRutaceaeZanthoxylum usambarense Ref.
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