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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:36 UTC
Update Date2025-03-25 00:54:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209553
Frequency0.5
Structure
Chemical FormulaC7H9NO
Molecular Mass123.0684
SMILESCC1=C(C=O)C=NC1C
InChI KeyUXDJZYQITBMTQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazacyclic compounds
Subclass azacyclic compounds
Direct Parent azacyclic compounds
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • aldehydes
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • azacycle
  • imine
  • aldehyde
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound