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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:46 UTC
Update Date2025-03-21 18:35:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107346
Frequency25.0
Structure
Chemical FormulaC10H13NO3
Molecular Mass195.0895
SMILESCOc1cc(C)ccc1NC(=O)CO
InChI KeyOWBBUZNXTOMAPJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent anilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
  • toluenes
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • n-arylamide
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • carboxamide group
  • methoxybenzene
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • toluene
  • organooxygen compound