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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:44 UTC
Update Date2025-03-25 00:45:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150517
Frequency0.5
Structure
Chemical FormulaC22H28O15
Molecular Mass532.1428
SMILESCOc1cc(C=CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)ccc1OC1C(O)C(O)C(O)C(O)C1O
InChI KeyROMFJEKZXOKAFW-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
  • acetals
  • alkyl aryl ethers
  • anisoles
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cinnamic acids and derivatives
  • cyclitols and derivatives
  • cyclohexanols
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • o-glucuronide
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • enoate ester
  • alcohol
  • pyran carboxylic acid or derivatives
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • methoxybenzene
  • oxacycle
  • fatty acid ester
  • pyran
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound