input word = C00057213

Metabolite InformationStructural formula
Name Peroxysimulenoline
Formula C20H23NO4
Mw 341.16270823
CAS RN 198336-57-1
C_ID C00057213
InChIKey SAIWHEDPKCDURN-YRNVUSSQSA-N
InChICode InChI=1S/C20H23NO4/c1-19(2,25-23)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)OO)C=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum simulans Ref.
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