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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:58 UTC
Update Date2025-03-21 18:05:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00054961
Frequency58.4
Structure
Chemical FormulaC13H18O2
Molecular Mass206.1307
SMILESOc1cccc(CC2(O)CCCCC2)c1
InChI KeyXSAFSYNQLNNGEH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • tertiary alcohols
    • Substituents
  • monocyclic benzene moiety
  • cyclohexanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid