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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:52:22 UTC
Update Date2025-03-24 18:00:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01039949
Frequency1.3
Structure
Chemical FormulaC6H8O3
Molecular Mass128.0473
SMILESC=C(O)C(=O)C(=O)CC
InChI KeyFDGXGKNLDCKMKQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-diketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-branched alpha,beta-unsaturated ketones
  • alpha-hydroxy ketones
  • beta-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • alpha,beta-unsaturated ketone
  • alpha-hydroxy ketone
  • alpha-diketone
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone