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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:26 UTC
Update Date2025-03-25 00:50:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179499
Frequency0.5
Structure
Chemical FormulaC25H31NO9
Molecular Mass489.1999
SMILESCOc1ccc2c3c1OC1CC(OC4OC(C(=O)O)C(O)C(O)C4O)C=CC1C31CCN(C)C1C2
InChI KeyXXMPQAJUYGAYDC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent xanthenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • amino acids
  • anisoles
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • indanes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-alkylpyrrolidines
  • o-glucuronides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • trialkylamines
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • amino acid or derivatives
  • amino acid
  • o-glucuronide
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • pyrrolidine
  • tertiary amine
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • hydroxy acid
  • xanthene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • anisole
  • indane
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound