Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:05:48 UTC
Update Date2025-03-24 22:29:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01217145
Frequency1.1
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCC(=O)C(CC=O)C(C)=O
InChI KeyLYYPOICKTVAEJV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-diketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • organic oxide
  • alpha-hydrogen aldehyde
  • aldehyde
  • hydrocarbon derivative
  • 1,3-diketone