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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:24:50 UTC
Update Date2025-03-24 16:50:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00974269
Frequency1.5
Structure
Chemical FormulaC46H45N3O18
Molecular Mass927.2698
SMILESCC1=C(CCC(=O)O)c2cc1c(CC(=O)O)c(CCC(=O)O)c1cc(nc3cc([nH]c4cc(n2)C(CC(=O)O)=C4CCC(=O)O)C(CC(=O)O)=C3CCC(=O)O)C(CC(=O)O)=C1CCC(=O)O
InChI KeyFCQAURAOYUHYEB-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
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound