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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:57:59 UTC
Update Date2025-03-21 23:01:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00622569
Frequency2.6
Structure
Chemical FormulaC7H7O3-
Molecular Mass139.0401
SMILESCOc1cccc(O[O-])c1
InChI KeyUCGIUUITMXMIFB-UHFFFAOYSA-M
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic anions
  • organic peroxides
  • organic superoxides
  • phenoxy compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic superoxide
  • organic oxide
  • organic anion
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic peroxide
  • phenoxy compound
  • organooxygen compound