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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:36 UTC
Update Date2025-03-25 00:51:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188991
Frequency0.5
Structure
Chemical FormulaC11H12O5
Molecular Mass224.0685
SMILESCC(O)CC(=O)c1cccc(O)c1C(=O)O
InChI KeyFPCFKUJXMDTDTF-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-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl alkyl ketones
  • benzoic acids
  • benzoyl derivatives
  • beta-hydroxy ketones
  • butyrophenones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • salicylic acids
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • beta-hydroxy ketone
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • salicylic acid
  • carboxylic acid derivative
  • organic oxide
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • alcohol
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • hydroxybenzoic acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • salicylic acid or derivatives
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone