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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:10 UTC
Update Date2025-03-25 00:48:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169692
Frequency0.5
Structure
Chemical FormulaC20H28O12
Molecular Mass460.1581
SMILESCCc1ccc(OC2OC(COC3C(C(=O)O)OC(O)C(O)C3O)C(O)C(O)C2O)cc1
InChI KeyVAGSXHACTCUJPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • organic oxide
  • acetal
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound