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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:42 UTC
Update Date2025-03-21 18:37:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00114459
Frequency23.1
Structure
Chemical FormulaC12H16O3
Molecular Mass208.1099
SMILESCC1Cc2c(O)cc(O)cc2CC1(C)O
InChI KeyWAXAEPPQHVMOSS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • hydrocarbon derivatives
  • tertiary alcohols
    • Substituents
  • alcohol
  • tetralin
  • tertiary alcohol
  • organic oxygen compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • 1-hydroxy-4-unsubstituted benzenoid
  • organooxygen compound