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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:14 UTC
Update Date2025-03-25 00:53:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199500
Frequency0.5
Structure
Chemical FormulaC9H9NO2
Molecular Mass163.0633
SMILESCc1ccccc(=O)c1NC=O
InChI KeyKMMZCQGVXOZNMO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasshydrocarbon derivatives
Classtropones
Subclass tropones
Direct Parent tropones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclic ketones
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • tropone
  • n-arylamide
  • cyclic ketone
  • carboxamide group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • organic nitrogen compound
  • organooxygen compound