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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:30 UTC
Update Date2025-03-25 01:00:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241249
Frequency0.5
Structure
Chemical FormulaC9H9NO4
Molecular Mass195.0532
SMILESCC(=O)Nc1cc2c(cc1O)OCO2
InChI KeyWGCJSACXVDGTFB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • acetamides
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • n-acetylarylamine
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • carboxamide group
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • acetamide
  • organooxygen compound
  • benzodioxole