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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:24 UTC
Update Date2025-03-25 00:50:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179425
Frequency0.5
Structure
Chemical FormulaC18H12O3
Molecular Mass276.0786
SMILESCOc1cccc2c(=O)oc3ccc4ccccc4c3c12
InChI KeyPDCKQIKKZTZAAH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classnaphthopyrans
Subclass naphthopyrans
Direct Parent naphthopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 2-benzopyrans
  • alkyl aryl ethers
  • anisoles
  • coumarins and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • naphthalenes
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • phenol ether
  • benzopyran
  • ether
  • 1-benzopyran
  • heteroaromatic compound
  • alkyl aryl ether
  • isocoumarin
  • coumarin
  • lactone
  • oxacycle
  • naphthopyran
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • anisole
  • 2-benzopyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound