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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:39:23 UTC
Update Date2025-03-21 17:58:23 UTC
HMDB IDHMDB0240257
Metabolite Identification
DeepMet IDDMID00014034
NameQuinolacetic acid
Frequency315.7
Structure
Chemical FormulaC8H8O4
Molecular Mass168.0423
SMILESO=C1C=CC(O)(CC(=O)O)C=C1
InChI KeyRFJUCKOEXRTZPN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carboxylic acids
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative