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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:29 UTC
Update Date2025-03-25 00:57:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225497
Frequency0.5
Structure
Chemical FormulaC14H13NO3
Molecular Mass243.0895
SMILESCC(=O)OCC(=O)Nc1cccc2ccccc12
InChI KeyHPBLLAJQCZIZJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • n-arylamide
  • aromatic homopolycyclic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound