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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:37 UTC
Update Date2025-03-25 00:46:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157182
Frequency0.5
Structure
Chemical FormulaC16H20O9
Molecular Mass356.1107
SMILESO=C1Cc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c2CC1O
InChI KeyKCBVRVXLMHRIRE-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
  • cyclic ketones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • tetralin
  • phenol ether
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • cyclic ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • oxacycle
  • saccharide
  • organic oxide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound