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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:49:36 UTC
Update Date2025-03-25 01:35:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02454668
Frequency0.5
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESCc1cc(CC=O)on1
InChI KeyIHPITZJDIWUACB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass isoxazoles
Direct Parent isoxazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • isoxazole
  • aldehyde
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound