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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:17 UTC
Update Date2025-03-21 18:31:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00084420
Frequency34.0
Structure
Chemical FormulaC17H12O2
Molecular Mass248.0837
SMILESCOc1ccc2ccc3ccc(O)c4ccc1c2c34
InChI KeyXKYOSHMVISAEJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classpyrenes
Subclass pyrenes
Direct Parent pyrenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • naphthols and derivatives
  • phenanthrols
    • Substituents
  • phenol ether
  • phenanthrene
  • ether
  • phenanthrol
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • pyrene
  • naphthalene
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • 1-naphthol
  • 2-naphthol
  • organooxygen compound