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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:12 UTC
Update Date2025-03-25 00:46:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156240
Frequency0.5
Structure
Chemical FormulaC11H12O5
Molecular Mass224.0685
SMILESCc1c(CCC(=O)O)ccc(O)c1C(=O)O
InChI KeySTOOSNVXIOCGCG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • meta cresols
  • organic oxides
  • salicylic acids
  • toluenes
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • salicylic acid
  • carboxylic acid derivative
  • organic oxide
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • m-cresol
  • benzoic acid or derivatives
  • hydroxybenzoic acid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • salicylic acid or derivatives
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • toluene
  • organooxygen compound