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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:34 UTC
Update Date2025-03-21 18:39:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126021
Frequency20.3
Structure
Chemical FormulaC13H19NO5
Molecular Mass269.1263
SMILESO=C(CCC(O)Cc1ccc(O)c(O)c1)NCCO
InChI KeyCQSFDPPQXQNIPE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent n-acylethanolamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkanolamines
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • fatty amide
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • organopnictogen compound
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • n-acylethanolamine
  • n-acyl-amine
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound