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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:23:10 UTC
Update Date2025-03-24 20:44:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01546014
Frequency0.8
Structure
Chemical FormulaC6H9NO2
Molecular Mass127.0633
SMILESCC(=O)C1N=CCC1O
InChI KeyVALQDWARMCNOQC-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
  • imines
  • ketones
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • pyrroline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound