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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:58:37 UTC
Update Date2025-03-24 20:58:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01630253
Frequency0.8
Structure
Chemical FormulaC5H5NO
Molecular Mass95.0371
SMILESO=CC1=CN=CC1
InChI KeyCNMBKMDRSDNPEG-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