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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:58 UTC
Update Date2025-03-21 18:39:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126981
Frequency20.1
Structure
Chemical FormulaC15H12O3
Molecular Mass240.0786
SMILESOc1ccc2c(c1)-c1cc3c(cc1CC2)OCO3
InChI KeyFEOCXXGHXXHCCO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrenes and derivatives
Direct Parent phenanthrenes and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzodioxoles
  • hydrocarbon derivatives
  • naphthols and derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • phenanthrene
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • naphthalene
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • 2-naphthol
  • organoheterocyclic compound
  • organooxygen compound
  • benzodioxole