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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:32 UTC
Update Date2025-03-21 18:36:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111652
Frequency23.8
Structure
Chemical FormulaC13H14O3
Molecular Mass218.0943
SMILESCOc1ccc2ccc(C(O)CO)cc2c1
InChI KeyBRXICBNLSJKREL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 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
  • 1,2-diol