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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:21 UTC
Update Date2025-03-25 00:56:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218333
Frequency0.5
Structure
Chemical FormulaC16H10O2
Molecular Mass234.0681
SMILESCc1ccc2oc(=O)c3cccc4ccc1c2c43
InChI KeyZIIPTYZJKCWMJN-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-benzopyrans
  • 2-benzopyrans
  • coumarins and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • naphthalenes
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • Substituents
  • phenanthrene
  • benzopyran
  • 1-benzopyran
  • heteroaromatic compound
  • isocoumarin
  • coumarin
  • lactone
  • oxacycle
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • 2-benzopyran
  • pyranone
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound