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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:35:07 UTC
Update Date2025-03-21 17:56:52 UTC
HMDB IDHMDB0134041
Metabolite Identification
DeepMet IDDMID00004120
Name3-(2,5-dihydroxyphenyl)prop-2-enoic acid
Frequency1375.4
Structure
Chemical FormulaC9H8O4
Molecular Mass180.0423
SMILESO=C(O)C=Cc1cc(O)ccc1O
InChI KeyJXIPYOZBOMUUCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass hydroxycinnamic acids and derivatives
Direct Parent hydroxycinnamic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroquinones
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • hydroxycinnamic acid
  • hydroquinone
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound