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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:52 UTC
Update Date2025-03-25 00:57:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226329
Frequency0.5
Structure
Chemical FormulaC7H7NO5
Molecular Mass185.0324
SMILESCC(O)C(=O)C1C(=O)NC(=O)C1=O
InChI KeyWEHYPAYYNVTVEA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-diketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acyloins
  • azacyclic compounds
  • carboxylic acids and derivatives
  • cyclic ketones
  • dicarboximides
  • hydrocarbon derivatives
  • n-unsubstituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • pyrrolidine-3-ones
  • secondary alcohols
    • Substituents
  • 2-pyrrolidone
  • 3-pyrrolidone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • carboxylic acid imide, n-unsubstituted
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • dicarboximide
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • carboxylic acid imide
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-diketone