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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:29 UTC
Update Date2025-03-25 00:47:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159052
Frequency0.5
Structure
Chemical FormulaC23H34O14
Molecular Mass534.1949
SMILESOCC1OC(OCC2C(O)C(O)C(O)C(OC3Cc4c(O)cc(O)cc4CC3O)C2O)C(O)C(O)C1O
InChI KeyBFTDGTRJXMJBDM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • cyclitols and derivatives
  • cyclohexanols
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
    • Substituents
  • alcohol
  • tetralin
  • ether
  • cyclohexanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • dialkyl ether
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound