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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:11:57 UTC
Update Date2025-03-24 21:04:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01662573
Frequency0.7
Structure
Chemical FormulaC43H40N4O18
Molecular Mass900.2338
SMILESO=C(O)CCC1=C(CC(=O)O)C2=NC1=Cc1[nH]c(c(CC(=O)O)c1CCC(=O)O)C=C1N=C(C=C(C(=O)O)C(CCC(=O)O)=C(CC(=O)O)C3=CC(=C2)N3)C(CC(=O)O)=C1CCC(=O)O
InChI KeyURRWLLWUWVEDKH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acids
Direct Parent 1-carboxy-2-haloaromatic compounds
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1-carboxy-2-haloaromatic compound
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound