Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:03:35 UTC
Update Date2025-03-21 19:02:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00212573
Frequency10.3
Structure
Chemical FormulaC8H13NO
Molecular Mass139.0997
SMILESCN1C2C=CC(O)C1CC2
InChI KeyFBHKLFMDPXAALL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
  • Substituents
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • aliphatic heteropolycyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound