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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:07 UTC
Update Date2025-03-21 18:03:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00043614
Frequency77.9
Structure
Chemical FormulaC9H12O4
Molecular Mass184.0736
SMILESCOc1cc(CC(O)O)ccc1O
InChI KeyAJKNJPFLEJIRIS-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
  • alkyl aryl ethers
  • anisoles
  • carbonyl hydrates
  • hydrocarbon derivatives
  • methoxybenzenes
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • carbonyl hydrate
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound