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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:26 UTC
Update Date2025-03-25 00:46:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156761
Frequency0.5
Structure
Chemical FormulaC18H22O10
Molecular Mass398.1213
SMILESO=C1CCC(Cc2ccc(O)c(C(=O)OCC3OC(O)C(O)C(O)C3O)c2)O1
InChI KeyGJTDUXLSADSQPH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent o-hydroxybenzoic acid esters
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • salicylic acid and derivatives
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous acids
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • saccharide
  • organic oxide
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • salicylic acid or derivatives
  • o-hydroxybenzoic acid ester
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • organooxygen compound