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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:23 UTC
Update Date2025-03-25 00:50:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183909
Frequency0.5
Structure
Chemical FormulaC17H12O4
Molecular Mass280.0736
SMILESO=C1CCc2c1c(=O)oc1c3c(cc(O)c21)C=CC1CC31
InChI KeyBYGHPBSJVBDBEI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classnaphthopyrans
Subclass naphthopyrans
Direct Parent naphthopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl alkyl ketones
  • coumarins and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • naphthols and derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • benzopyran
  • aryl alkyl ketone
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • coumarin
  • ketone
  • lactone
  • oxacycle
  • naphthopyran
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • pyranone
  • hydrocarbon derivative
  • benzenoid
  • 2-naphthol
  • organooxygen compound
  • aryl ketone