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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:55 UTC
Update Date2025-03-25 00:50:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178377
Frequency0.5
Structure
Chemical FormulaC18H20O12
Molecular Mass428.0955
SMILESCOC(=O)C1OC(Oc2c(O)cc(CC3CC(=O)C(=O)O3)cc2O)C(O)C(O)C1O
InChI KeyLFVCGGKLRDOVAG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • beta hydroxy acids and derivatives
  • cyclic ketones
  • dicarboxylic acids and derivatives
  • furanones
  • gamma butyrolactones
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • methyl esters
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • resorcinols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • cyclic ketone
  • carboxylic acid derivative
  • pyran carboxylic acid
  • resorcinol
  • ketone
  • lactone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • methyl ester
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • 3-furanone