Hmdb loader

Showing information for DMID00113075

Record Information
HMDB Statuspredicted
Creation Date2024-02-21 00:21:08 UTC
Update Date2025-03-21 18:36:55 UTC
HMDB IDHMDB0128920
Metabolite Identification
DeepMet IDDMID00113075
Name3,4,5-trihydroxy-6-[(3-methylbut-2-enoyl)oxy]oxane-2-carboxylic acid
Frequency23.4
Structure
Chemical FormulaC11H16O8
Molecular Mass276.0845
SMILESCC(C)=CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyDFYVNMKMKCIHDD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • alpha,beta-unsaturated carboxylic ester
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • oxane
  • organoheterocyclic compound
  • enoate ester
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • fatty acid ester
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative