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Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 23:06:41 UTC
Update Date2025-01-16 01:36:01 UTC
Metabolite IDMMDBc0054317
Metabolite Identification
Common Nameacetylacetone
Description2,4-Pentanedione is found in papaya. 2,4-Pentanedione is isolated from ethereal oil of Pinus sylvestris (Scotch pine
Structure
Synonyms
Molecular FormulaC5H8O2
Average Mass100.1158
Monoisotopic Mass100.0524295
IUPAC Namepentane-2,4-dione
Traditional Nameacetylacetone
CAS Registry NumberNot Available
SMILES
CC(=O)CC(C)=O
InChI Identifier
InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChI KeyYRKCREAYFQTBPV-UHFFFAOYSA-N