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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:59 UTC
Update Date2025-03-25 00:53:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201260
Frequency0.5
Structure
Chemical FormulaC17H12O2
Molecular Mass248.0837
SMILESCOc1cc2ccc3cccc4cc(O)c(c1)c2c34
InChI KeyRXNZJGRFYQJMIT-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