input word = C00050587

Metabolite InformationStructural formula
Name Espeletone
Formula C14H18O3
Mw 234.12559444
CAS RN 51995-98-3
C_ID C00050587
InChIKey BVWCFOXBDSMXEP-UHFFFAOYSA-N
InChICode InChI=1S/C14H18O3/c1-9(2)7-13(16)12-8-11(10(3)15)5-6-14(12)17-4/h5-6,8-9H,7H2,1-4H3
SMILES COc1ccc(C(C)=O)cc1C(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina pichinchensis var. bustamenta Ref.
PlantaeAsteraceaeEupatorium aschenbornianum Ref.
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OrganismEupatorium aschenbornianum
ReferenceRios, et al., Planta Med, 69, (2003), 967.