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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:55 UTC
Update Date2025-03-25 00:50:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178354
Frequency0.5
Structure
Chemical FormulaC10H11NO7S
Molecular Mass289.0256
SMILESCOC(=O)C1CN(OS(=O)(=O)O)c2ccccc2O1
InChI KeyXUGSUIANWUUZNO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • benzomorpholines
  • carbonyl compounds
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organic sulfuric acids and derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxylic acid derivative
  • benzomorpholine
  • organic oxide
  • methyl ester
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organic sulfuric acid or derivatives
  • azacycle
  • benzoxazine
  • oxazinane
  • oxacycle
  • morpholine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound