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.
zoom in



OrganismTipuana tipu
ReferenceAyeb-Zakhama, A. E. et al., Chem. Biodiversity, 13, (2016), 309-318.