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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:50:45 UTC
Update Date2025-03-25 00:28:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02040167
Frequency0.6
Structure
Chemical FormulaC6H7NO
Molecular Mass109.0528
SMILESCC1N=CC=CC1=O
InChI KeyJNHKJXZSWLJBSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclic ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • cyclic ketone
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound