Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:39:40 UTC
Update Date2025-03-21 22:53:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00579652
Frequency2.8
Structure
Chemical FormulaC6H11NO
Molecular Mass113.0841
SMILESCN1C=CC(C)(O)C1
InChI KeyYPIOPOXYBLTAIZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • enamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • tertiary alcohol
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • enamine