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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:48:34 UTC
Update Date2025-03-24 14:03:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00743203
Frequency2.1
Structure
Chemical FormulaC5H7NO
Molecular Mass97.0528
SMILESO=CC1CC=CN1
InChI KeyDNBQUYKFBGNUDG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • aldehydes
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • azacycle
  • aldehyde
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine