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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:47 UTC
Update Date2025-03-25 00:53:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200811
Frequency0.5
Structure
Chemical FormulaC17H15NO3
Molecular Mass281.1052
SMILESCOc1ccc2[nH]cc(Cc3ccccc3C(=O)O)c2c1
InChI KeyPMZPQKNDWZKGMM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • benzoic acids
  • benzoyl derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • carboxylic acid
  • indole
  • benzoyl
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • azacycle
  • heteroaromatic compound
  • benzoic acid or derivatives
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound