Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:46:49 UTC
Update Date2025-03-25 01:34:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02448177
Frequency0.5
Structure
Chemical FormulaC7H10NO+
Molecular Mass124.0757
SMILESC[N+]1(C)C=CC(=O)C=C1
InChI KeyFGBVYWWGMBXUMA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent dihydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • cyclic ketones
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • quaternary ammonium salts
  • Substituents
  • carbonyl group
  • azacycle
  • quaternary ammonium salt
  • cyclic ketone
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • dihydropyridine
  • organic salt
  • amine
  • organooxygen compound