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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:28:00 UTC
Update Date2025-03-24 17:49:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00981746
Frequency1.4
Structure
Chemical FormulaC7H12NO+
Molecular Mass126.0913
SMILESCC(=O)C1=[N+](C)CCC1
InChI KeyXIQLKMBRZBIWNT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • ketones
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • azacycle
  • ketone
  • organic oxide
  • pyrroline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound