input word = C00052328

Metabolite InformationStructural formula
Name Isoptelefoline
Formula C18H23NO5
Mw 333.15762285
CAS RN 27745-39-7
C_ID C00052328
InChIKey NGOMVQJSMUMPNB-UHFFFAOYSA-N
InChICode InChI=1S/C18H23NO5/c1-10(2)13(20)9-12-16(23-5)11-7-8-14(22-4)17(24-6)15(11)19(3)18(12)21/h7-8,13,20H,1,9H2,2-6H3
SMILES C=C(C)C(O)Cc1c(OC)c2ccc(OC)c(OC)c2n(C)c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePtelea trifoliata Ref.
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OrganismPtelea trifoliata
ReferenceNatural Products Vol.1 ISBN978-3-642-22143-9