Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:51:34 UTC
Update Date2025-03-24 21:22:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01757872
Frequency0.7
Structure
Chemical FormulaC7H11NO
Molecular Mass125.0841
SMILESCN1C2C=CC1(O)CC2
InChI KeyWHPDKXQTTKQLHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • alkanolamines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrrolines
  • Substituents
  • azacycle
  • n-alkylpyrrolidine
  • aliphatic heteropolycyclic compound
  • organic oxygen compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine