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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:08:48 UTC
Update Date2025-03-21 18:30:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00083282
Frequency39.6
Structure
Chemical FormulaC9H8N2O7S
Molecular Mass288.0052
SMILESO=C1Nc2ccccc2N(O)C(=O)C1OS(=O)(=O)O
InChI KeyBKRXGHFFDFTLHD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodiazepines
Subclass benzodiazepines
Direct Parent benzodiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • 1,4-diazepines
  • alkyl sulfates
  • azacyclic compounds
  • benzenoids
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxamic acids
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • lactam
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • organic sulfuric acid or derivatives
  • azacycle
  • benzodiazepine
  • carboxamide group
  • secondary carboxylic acid amide
  • para-diazepine
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • hydroxamic acid
  • sulfuric acid ester
  • organooxygen compound