Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:11:33 UTC
Update Date2025-03-24 14:13:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00797825
Frequency1.9
Structure
Chemical FormulaC6H12NO+
Molecular Mass114.0913
SMILESC[N+]1(C)C=CC(O)C1
InChI KeyBRGKWWCXRDIALD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • quaternary ammonium salts
  • secondary alcohols
  • Substituents
  • alcohol
  • azacycle
  • quaternary ammonium salt
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound