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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:43 UTC
Update Date2025-03-25 00:51:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189273
Frequency0.5
Structure
Chemical FormulaC12H18O3
Molecular Mass210.1256
SMILESCC(C)CC(C)(O)c1ccc(O)cc1O
InChI KeyJNCBSYLNHHRGKD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aromatic alcohols
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • tertiary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound