input word = C00053762

Metabolite InformationStructural formula
Name 5-(1-Methylethyl)bicyclo[3.1.0]hexan-2-one
Sabina ketone
Formula C9H14O
Mw 138.10446507
CAS RN 513-20-2
C_ID C00053762
InChIKey MDDYCNAAAZKNAJ-UHFFFAOYSA-N
InChICode InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3
SMILES CC(C)C1(C2)C2C(CC1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
PlantaeAsteraceaeArtemisia sp. Ref.
PlantaeAsteraceaeTanacetum vulgare Ref.
PlantaeLabiataeLavandula angustifolia Ref.
PlantaeLabiataeLavandula dentata Ref.
PlantaeRutaceaeAtalantia guillauminii Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
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OrganismLavandula dentata
ReferenceBialon, M. et al., Molecules, 24, (2019), 3270.