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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:52:50 UTC
Update Date2025-03-24 21:49:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01902303
Frequency0.6
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC(C)(O)C(O)C=CC=O
InChI KeyBBEHVVFOCHIIEZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent medium-chain aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • medium-chain aldehyde
  • tertiary alcohol
  • organic oxide
  • secondary alcohol
  • hydrocarbon derivative
  • 1,2-diol