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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:44:12 UTC
Update Date2025-03-21 18:00:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00024773
Frequency162.2
Structure
Chemical FormulaC7H9NO3
Molecular Mass155.0582
SMILESO=C(NCCO)c1ccco1
InChI KeyXKWFESAEHWOKSH-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