input word = C00052083

Metabolite InformationStructural formula
Name (+)-Isoptelefolonium
Formula C18H22NO4
Mw 316.1548832
CAS RN 60593-03-5
C_ID C00052083
InChIKey WBPOXQKUIHEHBO-UHFFFAOYSA-N
InChICode InChI=1S/C18H22NO4/c1-10(2)14-9-12-16(21-5)11-7-8-13(20-4)17(22-6)15(11)19(3)18(12)23-14/h7-8,14H,1,9H2,2-6H3/q+1
SMILES C=C(C)C1Cc2c(OC)c3ccc(OC)c(OC)c3[n+](C)c2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePtelea trifoliata Ref.
PlantaeRutaceaePtelea trifoliata spp. Trifoliata var. trifoliata Ref.
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OrganismPtelea trifoliata spp. Trifoliata var. trifoliata
ReferenceNatural Products Vol.1 ISBN978-3-642-22143-9