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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:46 UTC
Update Date2025-03-25 00:54:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207571
Frequency0.5
Structure
Chemical FormulaC10H11NO7S
Molecular Mass289.0256
SMILESO=C(CC(O)C(=O)O)c1ccccc1NS(=O)(=O)O
InChI KeyAWXCOMDPEDKDSA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • aryl alkyl ketones
  • benzoyl derivatives
  • beta-hydroxy ketones
  • butyrophenones
  • carboxylic acids
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • sulfanilides
  • sulfuric acid monoamides
  • vinylogous amides
    • Substituents
  • beta-hydroxy ketone
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • alpha-hydroxy acid
  • benzoyl
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • vinylogous amide
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • gamma-keto acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • sulfanilide
  • monocarboxylic acid or derivatives
  • keto acid
  • sulfuric acid monoamide
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone