input word = C00022021

Metabolite InformationStructural formula
Name Xanthipungolide
Formula C15H18O3
Mw 246.12559444
CAS RN
C_ID C00022021 ,
InChIKey SEZFTSPXDZZOIE-UHFFFAOYNA-N
InChICode InChI=1S/C15H18O3/c1-8-5-10-9-6-11-14(8)4-3-13(2,18-11)7-15(9,14)12(16)17-10/h3-4,8-11H,5-7H2,1-2H3/t8-,9-,10+,11+,13+,14-,15-/m0/s1
SMILES CC1CC2OC(=O)C34CC5(C)C=CC13C(CC24)O5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeXanthium pungens Ref.
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OrganismXanthium pungens
ReferenceAhmed,Phytochem.,29,(1990),2211