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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:31 UTC
Update Date2025-03-25 00:47:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159123
Frequency0.5
Structure
Chemical FormulaC18H12O3
Molecular Mass276.0786
SMILESOc1cc(O)c2c(ccc3c4cc(O)ccc4ccc32)c1
InChI KeyJZFNQOGVOFVPCI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass chrysenes
Direct Parent chrysenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • naphthols and derivatives
  • organooxygen compounds
  • phenanthrols
    • Substituents
  • phenanthrol
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • chrysene
  • naphthalene
  • organic oxygen compound
  • hydrocarbon derivative
  • 1-naphthol
  • 2-naphthol
  • organooxygen compound