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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:56:40 UTC
Update Date2025-03-24 14:06:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00762470
Frequency2.0
Structure
Chemical FormulaC6H8O3
Molecular Mass128.0473
SMILESC=C(O)C(=O)CC(C)=O
InChI KeyBFAVYTDSRVVZPW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone