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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:34 UTC
Update Date2025-03-25 00:49:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177549
Frequency0.5
Structure
Chemical FormulaC12H16O3
Molecular Mass208.1099
SMILESCc1cc2c(cc1O)CC(O)C(C)(O)C2
InChI KeyOHAFUHKWVIZPPF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • hydrocarbon derivatives
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • alcohol
  • tetralin
  • tertiary alcohol
  • organic oxygen compound
  • secondary alcohol
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol