input word = C00002426

Metabolite InformationStructural formula
Name Encecalin
Formula C14H16O3
Mw 232.10994438
CAS RN 20628-09-5
C_ID C00002426 ,
InChIKey WXVLCNREBFDEKS-UHFFFAOYSA-N
InChICode InChI=1S/C14H16O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-8H,1-4H3
SMILES c1(c(C(=O)C)cc2c(c1)OC(C=C2)(C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina scorodonoides Ref.
PlantaeAsteraceaeBrasilia sickii Ref.
PlantaeAsteraceaeEncelia californica Ref.
PlantaeAsteraceaeEupatorium glandulosum Ref.
PlantaeAsteraceaeFlourensia riparia Grisebach Ref.
PlantaeAsteraceaeHemizonia congesta Ref.
PlantaeAsteraceaeHemizonia fitchii Ref.
PlantaeAsteraceaeLagascea rigida Ref.
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OrganismHemizonia congesta
ReferenceBohlmann,Phytochem.,20,(1981),2383