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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:23 UTC
Update Date2025-03-21 18:35:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106363
Frequency25.3
Structure
Chemical FormulaC11H14O3
Molecular Mass194.0943
SMILESCCc1cc(C(C)C(=O)O)ccc1O
InChI KeyHEXIYMXYTHVDPK-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
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound