input word = C00011609

Metabolite InformationStructural formula
Name alpha-Bisabol-1-one
1-Bisabolone
Formula C15H24O
Mw 220.18271539
CAS RN 61432-71-1
C_ID C00011609 ,
InChIKey KNOUERLLBMJGLF-DUXBJXIBNA-N
InChICode InChI=1S/C15H24O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14+/m0/s1
SMILES CC(C)=CCC[C@H](C)[C@H]1CCC(C)=CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia purpurea Ref.
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