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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:24:44 UTC
Update Date2025-03-25 01:25:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02396228
Frequency0.5
Structure
Chemical FormulaC7H6NO2+
Molecular Mass136.0393
SMILESOc1ccc2c[nH][o+]c2c1
InChI KeyLHPOTLGAGNITDR-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzisoxazoles
Subclass benzisoxazoles
Direct Parent benzisoxazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoxazoles
  • organic cations
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • azacycle
  • heteroaromatic compound
  • benzisoxazole
  • isoxazole
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic cation
  • organooxygen compound
  • azole