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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:50 UTC
Update Date2025-03-25 01:01:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248999
Frequency0.5
Structure
Chemical FormulaC14H12O4
Molecular Mass244.0736
SMILESCOc1ccc(O)cc1-c1ccc2c(c1)OCO2
InChI KeySBBMCYXIOOEZSE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4-alkoxyphenols
  • acetals
  • alkyl aryl ethers
  • anisoles
  • benzodioxoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 4-alkoxyphenol
  • ether
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound
  • benzodioxole