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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:57 UTC
Update Date2025-03-25 00:57:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224360
Frequency0.5
Structure
Chemical FormulaC16H22O9
Molecular Mass358.1264
SMILESO=C(O)C1(O)CC(O)C(OCc2ccccc2)C(C(O)C(O)CO)O1
InChI KeyCTELCEOLOGEIGK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • benzylethers
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • benzylether
  • aromatic heteromonocyclic compound
  • alpha-hydroxy acid
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • organic oxide
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid