input word = C00035002

Metabolite InformationStructural formula
Name 4-Ketoisophorone
2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Formula C9H12O2
Mw 152.08372963
CAS RN 1125-21-9
C_ID C00035002 ,
InChIKey AYJXHIDNNLJQDT-UHFFFAOYSA-N
InChICode InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
SMILES C1(=O)C=C(C(=O)C(C1)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTipuana tipu Ref.
PlantaeIridaceaeCrocus sativus Ref.
PlantaeOxalidaceaeAverrhoa carambola Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
PlantaeSolanaceaeNicotiana bonariensis Ref.
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OrganismAverrhoa carambola
ReferenceRamadan, N. S. et al., Molecules, 25, (2020), 2423.