Hmdb loader

Showing information for DMID00042576

Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:51:41 UTC
Update Date2025-03-21 18:03:10 UTC
HMDB IDHMDB0131191
Metabolite Identification
DeepMet IDDMID00042576
Name3,4,5-trihydroxy-6-(4-methoxybenzoyloxy)oxane-2-carboxylic acid
Frequency80.2
Structure
Chemical FormulaC14H16O9
Molecular Mass328.0794
SMILESCOc1ccc(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChI KeyRODBJQCFVFIELQ-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
  • benzoic acid esters
  • benzoyl derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • p-methoxybenzoic acids and derivatives
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • benzoyl
  • o-glucuronide
  • monosaccharide
  • benzoate ester
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • benzoic acid or derivatives
  • hydroxy acid
  • methoxybenzene
  • oxacycle
  • p-methoxybenzoic acid or derivatives
  • pyran
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound