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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:26 UTC
Update Date2025-03-21 18:41:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135043
Frequency18.6
Structure
Chemical FormulaC9H12O4
Molecular Mass184.0736
SMILESCOc1cc(CCO)c(O)cc1O
InChI KeyGVTFNYDCMIMTBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4-alkoxyphenols
  • alcohols and polyols
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • phenoxy compounds
  • resorcinols
  • tyrosols
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • 4-alkoxyphenol
  • ether
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • tyrosol
  • alkyl aryl ether
  • methoxybenzene
  • resorcinol
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • tyrosol derivative
  • phenoxy compound
  • organooxygen compound