Hmdb loader

Showing information for DMID02150549

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:45 UTC
Update Date2025-03-25 00:45:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150549
Frequency0.5
Structure
Chemical FormulaC20H16O12
Molecular Mass448.0642
SMILESO=C(O)C1OC(Oc2cc(=O)oc3occ(-c4ccc(O)cc4)c(=O)c23)C(O)C(O)C1O
InChI KeyYIUUUTDBJXRYDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • pyranones and derivatives
  • secondary alcohols
  • vinylogous esters
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • lactone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • pyranone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • vinylogous ester
  • heteroaromatic compound
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid