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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:45:18 UTC
Update Date2025-03-24 17:57:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01022872
Frequency1.4
Structure
Chemical FormulaC7H8NO2+
Molecular Mass138.055
SMILESCNC(=O)c1ccc[o+]c1
InChI KeyBVVFBODFQLXBIS-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
    • Substituents
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound