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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:56:58 UTC
Update Date2025-03-24 14:06:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00763188
Frequency2.0
Structure
Chemical FormulaC7H8O3
Molecular Mass140.0473
SMILESCC1=CC(=O)C(O)C(=O)C1
InChI KeyCKHBBEOESWPOOB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent quinones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • beta-diketones
  • cyclohexenones
  • hydrocarbon derivatives
  • m-benzoquinones
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • cyclohexenone
  • organic oxide
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • m-benzoquinone
  • 1,3-diketone
  • quinone