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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:21:52 UTC
Update Date2025-03-25 00:15:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01256794
Frequency1.1
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESCC(=O)C(=O)C1=NCC1
InChI KeyKDJPFPQGQGBDOV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-diketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • alpha-diketone
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound