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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:18 UTC
Update Date2025-03-25 00:55:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213622
Frequency0.5
Structure
Chemical FormulaC10H13NO3
Molecular Mass195.0895
SMILESCOC(=O)C1=C(C)N2CCC1C(=O)C2
InChI KeyIUOXOUOXUHJAHK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass piperidinones
Direct Parent piperidinones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • enamines
  • enoate esters
  • hydrocarbon derivatives
  • ketones
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • tetrahydropyridines
  • trialkylamines
  • vinylogous amides
  • Substituents
  • carbonyl group
  • amino acid or derivatives
  • carboxylic acid derivative
  • ketone
  • aliphatic heteropolycyclic compound
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • methyl ester
  • organonitrogen compound
  • organopnictogen compound
  • piperidinone
  • tertiary amine
  • enoate ester
  • vinylogous amide
  • azacycle
  • tertiary aliphatic amine
  • tetrahydropyridine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • enamine