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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:59 UTC
Update Date2025-03-25 00:57:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222131
Frequency0.5
Structure
Chemical FormulaC17H12O3
Molecular Mass264.0786
SMILESOc1ccc2c(c1)OCc1ccc3c(O)cccc3c1-2
InChI KeyLALHPMDGJFWZBW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classnaphthopyrans
Subclass naphthopyrans
Direct Parent naphthopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-benzopyrans
  • alkyl aryl ethers
  • dibenzopyrans
  • hydrocarbon derivatives
  • naphthols and derivatives
  • oxacyclic compounds
  • pyrans
    • Substituents
  • benzopyran
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • dibenzopyran
  • oxacycle
  • naphthopyran
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • 2-benzopyran
  • hydrocarbon derivative
  • 1-naphthol
  • benzenoid
  • organooxygen compound