input word = C00058306

Metabolite InformationStructural formula
Name (-)-Usambarine
Formula C20H22NO4
Mw 340.1548832
CAS RN 162990-75-2
C_ID C00058306
InChIKey GPBLEXNMMFCQND-UHFFFAOYSA-O
InChICode InChI=1S/C20H21NO4/c1-21-4-3-12-7-19-20(25-11-24-19)9-15(12)16(21)5-13-6-17(22)18(23-2)8-14(13)10-21/h6-9,16H,3-5,10-11H2,1-2H3/p+1
SMILES COc1cc2c(cc1O)CC1c3cc4c(cc3CC[N+]1(C)C2)OCO4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum chaylbeum Ref.
PlantaeRutaceaeZanthoxylum usambarense Ref.
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OrganismZanthoxylum chaylbeum
ReferenceA. Kato et al., Chem. Abs., (1995), 122, 298790

(1996), 124, 198135.