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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:14 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172126
Frequency0.5
Structure
Chemical FormulaC7H9NO3
Molecular Mass155.0582
SMILESCN1C=CC(=O)C(C(=O)O)C1
InChI KeyJJXRSRXCDKLTCP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • amino acids
  • azacyclic compounds
  • carboxylic acids
  • cyclic ketones
  • enamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • vinylogous amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • vinylogous amide
  • azacycle
  • tertiary aliphatic amine
  • tetrahydropyridine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • amine
  • organooxygen compound
  • enamine