input word = C00055739

Metabolite InformationStructural formula
Name Bisabola-2,10-diene-1-one
Formula C15H22O2
Mw 234.16197995
CAS RN 107439-25-8
C_ID C00055739
InChIKey GJMJFKHIALXTFH-OCCSQVGLSA-N
InChICode InChI=1S/C15H22O2/c1-10(2)7-13(16)9-12(4)14-6-5-11(3)8-15(14)17/h7-8,12,14H,5-6,9H2,1-4H3/t12-,14+/m1/s1
SMILES CC(CC[C@@]1([H])[C@H](C)CC(/C=C(C)/C)=O)=CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites albus Ref.
PlantaeAsteraceaePetasites hybridus Ref.
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