input word = C00017004

Metabolite InformationStructural formula
Name Isopetasan
Dehydrofukinone
3-Desoxyisopetasol
Formula C15H22O
Mw 218.16706532
CAS RN 19598-45-9
C_ID C00017004 ,
InChIKey DZOKWSREAZGFFC-VFYXSWHGNA-N
InChICode InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11H,5-7,9H2,1-4H3/t11-,15+/m0/s1
SMILES CC(C)=C1C[C@@]2(C)C(=CC1=O)CCC[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctium lappa L. Ref.
PlantaeAsteraceaeCacalia hastata Ref.
PlantaeAsteraceaePetasites hybridus Ref.
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