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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:10 UTC
Update Date2025-03-21 18:36:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108341
Frequency24.8
Structure
Chemical FormulaC9H10O5
Molecular Mass198.0528
SMILESCc1c(O)c(O)c(C)c(C(=O)O)c1O
InChI KeyVXFVVAJGJOHUTO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent salicylic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • benzoic acids
  • benzoyl derivatives
  • hydrocarbon derivatives
  • meta cresols
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • ortho cresols
  • phenols
  • vinylogous acids
  • p-xylenes
  • p-xylenols
    • Substituents
  • carboxylic acid
  • benzoyl
  • salicylic acid
  • carboxylic acid derivative
  • xylene
  • organic oxide
  • xylenol
  • o-cresol
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • m-cresol
  • aromatic homomonocyclic compound
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • p-xylene
  • organic oxygen compound
  • p-xylenol
  • phenol
  • hydrocarbon derivative
  • organooxygen compound