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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:31 UTC
Update Date2025-03-25 01:01:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250600
Frequency0.5
Structure
Chemical FormulaC18H22O9
Molecular Mass382.1264
SMILESO=C1CCC(Cc2cccc(OC3OC(C(O)CO)C(=O)C(O)C3O)c2)O1
InChI KeyCORKPFLFGIIPJT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carboxylic acid esters
  • cyclic ketones
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • lactone
  • organic oxide
  • acetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound