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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:49 UTC
Update Date2025-03-21 18:34:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100028
Frequency27.4
Structure
Chemical FormulaC8H7NO6S
Molecular Mass244.9994
SMILESO=C1COc2cc(OS(=O)(=O)O)ccc2N1
InChI KeyZCWQEJNLHVBUBI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazinones
Direct Parent benzoxazinones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • arylsulfates
  • azacyclic compounds
  • benzenoids
  • benzomorpholines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • lactam
  • alkyl aryl ether
  • carboxylic acid derivative
  • benzomorpholine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • organic sulfuric acid or derivatives
  • azacycle
  • carboxamide group
  • oxazinane
  • oxacycle
  • secondary carboxylic acid amide
  • morpholine
  • benzoxazinone
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound