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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:41 UTC
Update Date2025-03-25 01:01:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250984
Frequency0.5
Structure
Chemical FormulaC12H12O6
Molecular Mass252.0634
SMILESO=C(O)CCCC(=O)c1cc(O)ccc1C(=O)O
InChI KeyISEIWFFXPMPPBT-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
  • aryl alkyl ketones
  • benzoic acids
  • benzoyl derivatives
  • butyrophenones
  • carbocyclic fatty acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • hydroxybenzoic acid derivatives
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • organic oxides
    • Substituents
  • fatty acyl
  • carbocyclic fatty acid
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • medium-chain fatty acid
  • hydroxy fatty acid
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • benzoic acid or derivatives
  • hydroxybenzoic acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone