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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:42:30 UTC
Update Date2025-03-24 22:11:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02020542
Frequency0.6
Structure
Chemical FormulaC7H7O2-
Molecular Mass123.0452
SMILESCc1cc([O-])ccc1O
InChI KeyCNHDIAIOKMXOLK-UHFFFAOYSA-M
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent ortho cresols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • hydrocarbon derivatives
  • organic anions
  • organic oxides
  • organooxygen compounds
  • phenoxides
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • phenoxide
  • aromatic homomonocyclic compound
  • organic oxide
  • organic anion
  • organic oxygen compound
  • o-cresol
  • hydrocarbon derivative
  • toluene
  • organooxygen compound