Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:18:37 UTC
Update Date2025-03-21 19:10:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00247515
Frequency8.5
Structure
Chemical FormulaC6H9NO
Molecular Mass111.0684
SMILESCN1C=CC(=O)CC1
InChI KeyFYVXQMLPGIHTKN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic ketones
  • enamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carbonyl group
  • azacycle
  • tertiary aliphatic amine
  • tetrahydropyridine
  • cyclic ketone
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • enamine