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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:50 UTC
Update Date2025-03-25 00:50:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178171
Frequency0.5
Structure
Chemical FormulaC16H12O2
Molecular Mass236.0837
SMILESCOC(=O)c1cc2ccccc2c2ccccc12
InChI KeyZIRPXQWFLFUQQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrenes and derivatives
Direct Parent phenanthrenes and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • naphthalenecarboxylic acids
  • organic oxides
  • organooxygen compounds
    • Substituents
  • phenanthrene
  • aromatic homopolycyclic compound
  • 1-naphthalenecarboxylic acid
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • naphthalene
  • organic oxygen compound
  • 1-naphthalenecarboxylic acid or derivatives
  • 2-naphthalenecarboxylic acid or derivatives
  • carboxylic acid ester
  • hydrocarbon derivative
  • 2-naphthalenecarboxylic acid
  • organooxygen compound