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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:34 UTC
Update Date2025-03-21 18:35:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106834
Frequency25.2
Structure
Chemical FormulaC5H8O2
Molecular Mass100.0524
SMILESCOC=C(C)C=O
InChI KeyBAPBBQSTCGOMED-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous esters
Subclass vinylogous esters
Direct Parent vinylogous esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • short-chain aldehydes
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • short-chain aldehyde
  • organic oxygen compound
  • vinylogous ester
  • aldehyde
  • hydrocarbon derivative
  • organooxygen compound