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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:21:42 UTC
Update Date2025-03-24 20:17:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01398860
Frequency0.9
Structure
Chemical FormulaC7H7O2-
Molecular Mass123.0452
SMILESCOc1ccc([O-])cc1
InChI KeyNWVVVBRKAWDGAB-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 oxides
  • phenoxides
  • phenoxy compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • phenoxide
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • organic anion
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound