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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:55 UTC
Update Date2025-03-21 18:37:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117439
Frequency22.3
Structure
Chemical FormulaC11H13NO3
Molecular Mass207.0895
SMILESCOc1ccc(C=CC(N)=O)cc1OC
InChI KeyQUKZILHYXHKAKT-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
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxamide group
  • carboxylic acid derivative
  • methoxybenzene
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • cinnamic acid or derivatives
  • organic oxide
  • organic oxygen compound
  • anisole
  • o-dimethoxybenzene
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound