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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:44 UTC
Update Date2025-03-25 01:00:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241818
Frequency0.5
Structure
Chemical FormulaC11H12O5
Molecular Mass224.0685
SMILESCC(O)C(O)C(=O)c1ccccc1C(=O)O
InChI KeyMUDMFJRTOZQNMU-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
  • 1,2-diols
  • 1-carboxy-2-haloaromatic compounds
  • acyloins
  • aryl alkyl ketones
  • benzoic acids
  • benzoyl derivatives
  • beta-hydroxy ketones
  • butyrophenones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
    • Substituents
  • beta-hydroxy ketone
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • benzoyl
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • 1,2-diol
  • alcohol
  • benzoic acid or derivatives
  • butyrophenone
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone