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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:42 UTC
Update Date2025-03-25 00:50:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180095
Frequency0.5
Structure
Chemical FormulaC23H26O15
Molecular Mass542.1272
SMILESCOc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(OC3OC(C(=O)O)C(O)C(O)C3O)C2=O)ccc1O
InChI KeyALZGZYCNJSCMBR-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
  • acetals
  • alkyl aryl ethers
  • alpha hydroxy acids and derivatives
  • alpha-acyloxy ketones
  • anisoles
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • cyclic ketones
  • cyclitols and derivatives
  • enoate esters
  • fatty acid esters
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • tertiary alcohols
  • tricarboxylic acids and derivatives
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carboxylic acid
  • alpha-acyloxy ketone
  • o-glucuronide
  • methoxyphenol
  • monosaccharide
  • pyran carboxylic acid
  • ketone
  • 1-o-glucuronide
  • alpha,beta-unsaturated carboxylic ester
  • beta-hydroxy acid
  • acetal
  • oxane
  • organoheterocyclic compound
  • enoate ester
  • alcohol
  • cyclitol or derivatives
  • methoxybenzene
  • fatty acid ester
  • anisole
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • fatty acyl
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • alpha-hydroxy acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • tricarboxylic acid or derivatives
  • cyclic ketone
  • alkyl aryl ether
  • carboxylic acid derivative
  • hydroxycinnamic acid or derivatives
  • cinnamic acid or derivatives
  • organic oxide
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • cyclic alcohol
  • hydroxycinnamic acid
  • oxacycle
  • tertiary alcohol
  • pyran
  • secondary alcohol
  • benzenoid