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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:18 UTC
Update Date2025-03-21 18:38:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123034
Frequency21.0
Structure
Chemical FormulaC11H12O6
Molecular Mass240.0634
SMILESCC(CC(=O)c1c(O)cc(O)cc1O)C(=O)O
InChI KeyXFBBFYUBJPROPW-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • acylphloroglucinols and derivatives
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carboxylic acids
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • phloroglucinol derivative
  • organic oxide
  • acylphloroglucinol derivative
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma-keto acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • keto acid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone