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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:09 UTC
Update Date2025-03-25 00:47:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162786
Frequency0.5
Structure
Chemical FormulaC9H12N2O3
Molecular Mass196.0848
SMILESO=C(NCCO)C(O)c1cccnc1
InChI KeyMGGDSQRRDSRNBV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent n-acylethanolamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkanolamines
  • aromatic alcohols
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • aromatic alcohol
  • alcohol
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • carboxamide group
  • n-acylethanolamine
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound