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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:02 UTC
Update Date2025-03-25 00:47:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164808
Frequency0.5
Structure
Chemical FormulaC10H16O3
Molecular Mass184.1099
SMILESCC(O)C1(O)CC(=O)C=CC1(C)C
InChI KeyJWCBDLDFMBIPBS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • alcohol
  • cyclohexenone
  • tertiary alcohol
  • organic oxide
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,2-diol