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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:33:16 UTC
Update Date2025-03-25 00:44:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02140105
Frequency0.6
Structure
Chemical FormulaC47H46N4O20
Molecular Mass986.2705
SMILESO=C(O)CCC1=C(CC(=O)O)C2=Cc3nc(cc4[nH]c5nc(cc(c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)C(CCC(=O)O)=C(CC(=O)O)C(CC(=O)O)=C(CCC(=O)O)C1=C5)N2
InChI KeyQWSJPVLNZBWKLI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidines and pyrimidine derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound