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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 IDDMID02161975
Frequency0.5
Structure
Chemical FormulaC19H17NO9
Molecular Mass403.0903
SMILESO=C(O)C1OC(Oc2ccc(O)c3[nH]c(=O)c4ccccc4c23)C(O)C(O)C1O
InChI KeyKYLDCTSLDTUMHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass benzoquinolines
Direct Parent phenanthridines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • 8-hydroxyquinolines
  • acetals
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroquinolones
  • hydroxypyridines
  • isoquinolones and derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • polyhalopyridines
  • pyran carboxylic acids
  • pyridinones
  • secondary alcohols
    • Substituents
  • phenol ether
  • carbonyl group
  • lactam
  • carboxylic acid
  • glucuronic acid or derivatives
  • polyhalopyridine
  • 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
  • organonitrogen compound
  • organopnictogen compound
  • isoquinolone
  • 2-halopyridine
  • oxane
  • alcohol
  • pyran carboxylic acid or derivatives
  • 8-hydroxyquinoline
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • dihydroquinoline
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • dihydroquinolone
  • pyridine
  • organic oxygen compound
  • pyran
  • isoquinoline
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenanthridine
  • organic nitrogen compound
  • pyridinone
  • organooxygen compound