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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:25:30 UTC
Update Date2025-03-24 21:10:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01695471
Frequency0.7
Structure
Chemical FormulaC7H9NO2
Molecular Mass139.0633
SMILESCCC(=O)Nc1ccco1
InChI KeyCWZHSFGOPYRCBP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-arylamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
    • Substituents
  • furan
  • carbonyl group
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • n-arylamide
  • carboxamide group
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound