input word = C00052358

Metabolite InformationStructural formula
Name N-demethyllunidonine
Formula C16H17NO5
Mw 303.11067266
CAS RN 55396-51-5
C_ID C00052358
InChIKey ZIPRPYQDBMLUPB-UHFFFAOYSA-N
InChICode InChI=1S/C16H17NO5/c1-8(2)11(18)6-10-14(20-3)9-4-5-12-15(22-7-21-12)13(9)17-16(10)19/h4-5,8H,6-7H2,1-3H3,(H,17,19)
SMILES COc1c(CC(=O)C(C)C)c(=O)[nH]c2c3c(ccc12)OCO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeOrixa japonica Ref.
PlantaeRutaceaePtelea trifoliata ssp. Pallida var. confinis Ref.
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OrganismPtelea trifoliata ssp. Pallida var. confinis
ReferenceNatural Products Vol.1 ISBN978-3-642-22143-9