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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:26 UTC
Update Date2025-03-25 00:50:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179483
Frequency0.5
Structure
Chemical FormulaC15H16O4
Molecular Mass260.1049
SMILESCOc1ccc2cc(C3OCC(O)C3O)ccc2c1
InChI KeyYOQRSKASPUQRIQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl aryl ethers
  • anisoles
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • phenol ether
  • ether
  • tetrahydrofuran
  • monosaccharide
  • alkyl aryl ether
  • dialkyl ether
  • oxacycle
  • saccharide
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • 1,2-diol