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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:30 UTC
Update Date2025-03-25 00:47:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163591
Frequency0.5
Structure
Chemical FormulaC17H18O6
Molecular Mass318.1103
SMILESCC1(O)CC(O)C(c2ccc(O)c(O)c2)c2cc(O)cc(O)c21
InChI KeyVXVJOXOJRXWIEE-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
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • alcohol
  • tetralin
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • tertiary alcohol
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • organooxygen compound