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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:58 UTC
Update Date2025-03-25 00:49:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171519
Frequency0.5
Structure
Chemical FormulaC12H15NO2
Molecular Mass205.1103
SMILESCN(C)Cc1ccccc1C=CC(=O)O
InChI KeyMZHWUMNHLMERFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass cinnamic acids and derivatives
Direct Parent cinnamic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amino acids
  • aralkylamines
  • benzylamines
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenylmethylamines
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • tertiary aliphatic amine
  • carboxylic acid derivative
  • aralkylamine
  • aromatic homomonocyclic compound
  • cinnamic acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • phenylmethylamine
  • organic oxygen compound
  • benzylamine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound