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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:32 UTC
Update Date2025-03-25 00:50:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182024
Frequency0.5
Structure
Chemical FormulaC19H18O11
Molecular Mass422.0849
SMILESO=C(O)C1OC(Oc2cc(O)c3c(c2)Oc2c(ccc(O)c2O)C3)C(O)C(O)C1O
InChI KeyAZRQNBFIHMLPCH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent xanthenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • diarylethers
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • diaryl ether
  • phenol ether
  • carbonyl group
  • ether
  • 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
  • aromatic heteropolycyclic compound
  • oxane
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • xanthene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound