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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:59 UTC
Update Date2025-03-25 00:50:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180757
Frequency0.5
Structure
Chemical FormulaC16H21NO9
Molecular Mass371.1216
SMILESCOc1cc2c(cc1O)CC(OC1OC(CO)C(O)C(O)C1O)C(=O)N2
InChI KeyBOOCCYQGIAMTMY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolones and derivatives
Direct Parent hydroquinolones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroquinolines
  • lactams
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • lactam
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • tetrahydroquinoline
  • primary alcohol
  • alcohol
  • tetrahydroquinolone
  • azacycle
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound