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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:43:12 UTC
Update Date2025-03-24 20:26:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01449996
Frequency0.9
Structure
Chemical FormulaC8H9NO
Molecular Mass135.0684
SMILESC=CC(=O)C1=NCCC=C1
InChI KeyUGZWBQTWYRJYDM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • ketimines
  • ketones
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • alpha,beta-unsaturated ketone
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound