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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:59 UTC
Update Date2025-03-21 18:38:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122321
Frequency21.1
Structure
Chemical FormulaC11H13NO3
Molecular Mass207.0895
SMILESCN(C)c1ccc(C=CC(=O)O)cc1O
InChI KeyXVPORJWUHJPSLN-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • amino acids
  • aniline and substituted anilines
  • carbonyl compounds
  • carboxylic acids
  • dialkylarylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • o-aminophenols
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • aniline or substituted anilines
  • aminophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • o-aminophenol
  • amine
  • organooxygen compound