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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:35 UTC
Update Date2025-03-25 00:50:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179818
Frequency0.5
Structure
Chemical FormulaC14H20O3
Molecular Mass236.1412
SMILESCc1c(O)cc2c(c1O)CC(C(C)(C)O)CC2
InChI KeyFJHBQNLMWIEPTO-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