input word = C00058000

Metabolite InformationStructural formula
Name Simulenoline
Formula C20H23NO3
Mw 325.16779361
CAS RN 198336-56-0
C_ID C00058000
InChIKey QEKDXAXUTISDJG-YRNVUSSQSA-N
InChICode InChI=1S/C20H23NO3/c1-19(2,23)11-7-12-20(3)13-10-15-17(24-20)14-8-5-6-9-16(14)21(4)18(15)22/h5-11,13,23H,12H2,1-4H3/b11-7+
SMILES Cn1c(=O)c2c(c3ccccc31)OC(C)(C/C=C/C(C)(C)O)C=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum simulans Ref.
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