Hmdb loader

Showing information for DMID00098425

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:09 UTC
Update Date2025-03-21 18:33:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098425
Frequency28.0
Structure
Chemical FormulaC22H16O12
Molecular Mass472.0642
SMILESO=C(O)C1OC(Oc2ccc3c(c2)oc(=O)c2c4ccc(O)cc4c(=O)oc32)C(O)C(O)C1O
InChI KeyJOUAGIZOTGVMSO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarino-alpha-pyrones
Direct Parent coumarino-alpha-pyrones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-benzopyrans
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • pyranones and derivatives
  • secondary alcohols
    • Substituents
  • phenol ether
  • carbonyl group
  • coumarino-alpha-pyrone
  • carboxylic acid
  • glucuronic acid or derivatives
  • 1-benzopyran
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • lactone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • pyranone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • pyran carboxylic acid or derivatives
  • heteroaromatic compound
  • hydroxy acid
  • isocoumarin
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • 2-benzopyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound