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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:45:44 UTC
Update Date2025-03-21 22:56:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00594115
Frequency2.7
Structure
Chemical FormulaC4H4O2
Molecular Mass84.0211
SMILESO=C=CCC=O
InChI KeyXBSRXVZINSXPAK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydrogen aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketenes
  • organic oxides
  • short-chain aldehydes
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • short-chain aldehyde
  • ynolate
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative
  • ketene