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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:34 UTC
Update Date2025-03-25 01:01:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250701
Frequency0.5
Structure
Chemical FormulaC13H18N2O3
Molecular Mass250.1317
SMILESO=C(O)CC1(O)CCN(Cc2ccccn2)CC1
InChI KeySRSBTFVGACPHLM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass 2-pyridylmethylamines
Direct Parent 2-pyridylmethylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • amino acids
  • aralkylamines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidines
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • 2-pyridylmethylamine
  • carboxylic acid derivative
  • aralkylamine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • piperidine
  • tertiary amine
  • alcohol
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound