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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:25 UTC
Update Date2025-03-25 00:55:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211528
Frequency0.5
Structure
Chemical FormulaC16H20N2O7
Molecular Mass352.1271
SMILESCC(=O)Nc1cccc2c(OC3OC(CO)C(O)C(O)C3O)c[nH]c12
InChI KeyZMJQRUBSWKOEFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyrroles
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • n-acetylarylamine
  • indole
  • monosaccharide
  • n-arylamide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • acetamide
  • alcohol
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound