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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:56 UTC
Update Date2025-03-25 00:46:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153335
Frequency0.5
Structure
Chemical FormulaC14H16O4
Molecular Mass248.1049
SMILESCOc1ccc2c(C(O)C(O)CO)cccc2c1
InChI KeyRFLNMMGFAOVMQV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • hydrocarbon derivatives
  • primary alcohols
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • phenol ether
  • ether
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • naphthalene
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound