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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:03 UTC
Update Date2025-03-25 00:50:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180935
Frequency0.5
Structure
Chemical FormulaC12H12O6
Molecular Mass252.0634
SMILESO=C(O)CCC(=O)c1cccc(O)c1CC(=O)O
InChI KeyQWHHMMCUAGJSNA-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
  • 2(hydroxyphenyl)acetic acids
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • 2(hydroxyphenyl)acetic acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma-keto acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • keto acid
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone