Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:56:41 UTC
Update Date2025-03-25 01:38:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02471201
Frequency0.5
Structure
Chemical FormulaC8H13NO
Molecular Mass139.0997
SMILESCN1C2C=CC1C(CO)C2
InChI KeyMHVQDJSMVBDWFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary alcohols
  • pyrrolines
  • trialkylamines
  • Substituents
  • alcohol
  • 1,3-aminoalcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • aliphatic heteropolycyclic compound
  • organic oxygen compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • amine
  • tertiary amine
  • organooxygen compound