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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:48 UTC
Update Date2025-03-25 00:59:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237407
Frequency0.5
Structure
Chemical FormulaC10H9NO3
Molecular Mass191.0582
SMILESNc1ccccc1C=C(C=O)C(=O)O
InChI KeyIKGACFOMZZQZMS-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
  • aldehydes
  • amino acids
  • benzene and substituted derivatives
  • carboxylic acids
  • cinnamaldehydes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • Substituents
  • monocyclic benzene moiety
  • cinnamaldehyde
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • aldehyde
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • cinnamic acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound