Hmdb loader

Showing information for DMID02161964

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:48 UTC
Update Date2025-03-25 00:47:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161964
Frequency0.5
Structure
Chemical FormulaC19H16O13
Molecular Mass452.0591
SMILESO=C(O)C1OC(Oc2cc(O)cc3oc4c(O)c(O)cc(O)c4c(=O)c23)C(O)C(O)C1O
InChI KeyJYPAZXQVCPHVBS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent xanthones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • chromones
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • pyranones and derivatives
  • secondary alcohols
  • vinylogous acids
  • vinylogous esters
    • Substituents
  • phenol ether
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • oxane
  • alcohol
  • xanthone
  • pyran carboxylic acid or derivatives
  • vinylogous ester
  • heteroaromatic compound
  • hydroxy acid
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound