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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:44 UTC
Update Date2025-03-25 00:54:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207469
Frequency0.5
Structure
Chemical FormulaC26H27N7O9
Molecular Mass581.187
SMILESNc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)Nc3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3)cc1)=N2
InChI KeyGNXPRMHWGIWFHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent benzanilides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • amino acids
  • azacyclic compounds
  • benzamides
  • benzoyl derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • phenylalkylamines
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pterins and derivatives
  • pyran carboxylic acids
  • pyrimidones
  • secondary alcohols
  • secondary alkylarylamines
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • phenol ether
  • carboxylic acid
  • amino acid or derivatives
  • benzoyl
  • o-glucuronide
  • monosaccharide
  • pteridine
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • acetal
  • organonitrogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary aliphatic/aromatic amine
  • secondary carboxylic acid amide
  • hydrocarbon derivative
  • primary amine
  • phenoxy compound
  • amine
  • ketimine
  • carbonyl group
  • benzanilide
  • glucuronic acid or derivatives
  • amino acid
  • imine
  • pyrimidone
  • carboxylic acid derivative
  • benzamide
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organopnictogen compound
  • pyran carboxylic acid or derivatives
  • benzoic acid or derivatives
  • hydroxy acid
  • secondary amine
  • carboxamide group
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • phenylalkylamine
  • organic nitrogen compound
  • organooxygen compound