input word = C00052715

Metabolite InformationStructural formula
Name Acetonyldimethylcarbinol
4-Hydroxy-4-methyl-2-pentanone
Formula C6H12O2
Mw 116.08372963
CAS RN 123-42-2
C_ID C00052715
InChIKey SWXVUIWOUIDPGS-UHFFFAOYSA-N
InChICode InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
SMILES CC(CC(O)(C)C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia parviflora Ref.
PlantaeRosaceaeRubus arcticus Ref.
zoom in



OrganismRubus arcticus
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 421C (ir)