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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:15 UTC
Update Date2025-03-25 00:51:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190454
Frequency0.5
Structure
Chemical FormulaC14H18O3
Molecular Mass234.1256
SMILESCC(=O)C1(O)CCc2c(cc(O)c(C)c2C)C1
InChI KeyREMPGIGJTYCZGN-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
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • tertiary alcohols
    • Substituents
  • alcohol
  • tetralin
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • ketone
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound