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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:25 UTC
Update Date2025-03-25 01:01:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250370
Frequency0.5
Structure
Chemical FormulaC10H6NO5+
Molecular Mass220.024
SMILESO=C(O)c1cc(=O)[o+]c2cc(O)ccc2n1
InChI KeyHFPMFBSBCVQVFK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazepines
Subclass benzoxazepines
Direct Parent benzoxazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-oxazepines
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • para-oxazepine
  • benzoxazepine
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic cation
  • organooxygen compound