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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:43:25 UTC
Update Date2025-03-21 18:49:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00165548
Frequency14.3
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCOC(=O)C1CCCC1=O
InChI KeyPZBBESSUKAHBHD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • carboxylic acid ester
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound