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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:06 UTC
Update Date2025-03-25 00:55:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210753
Frequency0.5
Structure
Chemical FormulaC13H16O2
Molecular Mass204.115
SMILESC=CCc1c(C)c(C)c(C)c(O)c1C=O
InChI KeyHZWMYROQQYXLMD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent hydroxybenzaldehydes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzoyl derivatives
  • hydrocarbon derivatives
  • meta cresols
  • organic oxides
  • organooxygen compounds
  • ortho cresols
  • para cresols
  • phenols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • m-cresol
  • benzoyl
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxide
  • p-cresol
  • o-cresol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • hydroxybenzaldehyde