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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:57 UTC
Update Date2025-03-25 00:57:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222040
Frequency0.5
Structure
Chemical FormulaC19H16O7
Molecular Mass356.0896
SMILESOc1cc2c3c(c(O)c(O)cc3c1)OC(c1ccc(O)c(O)c1)C(O)C2
InChI KeyYOBHYCASJVYDCM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthols and derivatives
Direct Parent naphthols and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • 2-naphthol
  • organoheterocyclic compound
  • organooxygen compound