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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:05 UTC
Update Date2025-03-25 01:01:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249595
Frequency0.5
Structure
Chemical FormulaC12H16O3
Molecular Mass208.1099
SMILESCc1c(C(=O)O)cc(C(C)C)c(O)c1C
InChI KeyODAMJPRVLATYAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent aromatic monoterpenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • benzoic acids
  • benzoyl derivatives
  • cumenes
  • hydrocarbon derivatives
  • hydroxybenzoic acid derivatives
  • meta cresols
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organooxygen compounds
  • ortho cresols
  • phenols
  • phenylpropanes
  • o-xylenes
    • Substituents
  • monocyclic benzene moiety
  • monocyclic monoterpenoid
  • carboxylic acid
  • benzoyl
  • p-cymene
  • carboxylic acid derivative
  • phenylpropane
  • xylene
  • organic oxide
  • o-cresol
  • cumene
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • m-cresol
  • benzoic acid or derivatives
  • hydroxybenzoic acid
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • o-xylene
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid