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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:18 UTC
Update Date2025-03-21 18:35:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103717
Frequency26.2
Structure
Chemical FormulaC10H11NO7S
Molecular Mass289.0256
SMILESNc1ccc(O)cc1C(=O)CCC(=O)OS(=O)(=O)O
InChI KeyZPBOHVXPJBXJMK-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • amino acids and derivatives
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • sulfuric acid monoesters
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • aryl alkyl ketone
  • amino acid or derivatives
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • vinylogous amide
  • organic sulfuric acid or derivatives
  • gamma-keto acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • keto acid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • alkyl-phenylketone