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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:41 UTC
Update Date2025-03-21 18:36:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112023
Frequency23.7
Structure
Chemical FormulaC10H10O4
Molecular Mass194.0579
SMILESO=Cc1c(O)cccc1CCC(=O)O
InChI KeyFAZARMASQCFHAE-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-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzoyl derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxybenzaldehydes
  • monocarboxylic acids and derivatives
  • organic oxides
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • vinylogous acid
  • benzaldehyde
  • organic oxide
  • monocarboxylic acid or derivatives
  • aryl-aldehyde
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • hydroxybenzaldehyde
  • organooxygen compound