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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:46 UTC
Update Date2025-03-25 00:51:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189393
Frequency0.5
Structure
Chemical FormulaC10H15NO3
Molecular Mass197.1052
SMILESCC(C)c1ccc(C(=O)NCCO)o1
InChI KeyOEQXUBGNEVZQBA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent n-acylethanolamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-heteroaryl carboxamides
  • alcohols and polyols
  • alkanolamines
  • carboxylic acids and derivatives
  • furoic acid and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • furan
  • furoic acid or derivatives
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • carboxamide group
  • n-acylethanolamine
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound