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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:22 UTC
Update Date2025-03-25 00:47:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158817
Frequency0.5
Structure
Chemical FormulaC13H10O3
Molecular Mass214.063
SMILESOc1ccc2c3c(ccc2c1)OC1CC3O1
InChI KeyFLOPSQVZIJJNGS-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
  • acetals
  • hydrocarbon derivatives
  • naphthols and derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • oxetanes
  • pyrans
    • Substituents
  • benzopyran
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • naphthopyran
  • naphthalene
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • pyran
  • oxetane
  • chromane
  • hydrocarbon derivative
  • benzenoid
  • 2-naphthol
  • organooxygen compound