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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:01:53 UTC
Update Date2025-03-25 01:16:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02343749
Frequency0.5
Structure
Chemical FormulaC45H44N4O18
Molecular Mass928.2651
SMILESCC1=C(CC(=O)O)C(CC(=O)O)=C(CCC(=O)O)C2=Cc3[nH]c(c(CCC(=O)O)c3CC(=O)O)C=C3N=C1C=c1[nH]c(c(CC(=O)O)c1CCC(=O)O)=CC(=N2)C(CCC(=O)O)=C3CC(=O)O
InChI KeyPKTUSGWPEWUXTD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound