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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:24 UTC
Update Date2025-03-21 18:39:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125586
Frequency20.4
Structure
Chemical FormulaC10H12O3
Molecular Mass180.0786
SMILESCc1ccc(O)c(C)c1CC(=O)O
InChI KeyCYYNSTDMVLNVSX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent para cresols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • ortho cresols
  • m-xylenes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • m-xylene
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • xylene
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • p-cresol
  • o-cresol
  • hydrocarbon derivative
  • organooxygen compound