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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:55:59 UTC
Update Date2025-03-25 01:14:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02329708
Frequency0.5
Structure
Chemical FormulaC46H43N3O20
Molecular Mass957.244
SMILESO=C(O)CCC1=C(CC(=O)O)c2cc3[nH]c(cc4nc(cc5c(CCC(=O)O)c(CC(=O)O)c(cc1n2)c(CCC(=O)O)c5C(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O
InChI KeyDDFLKHRHEYDTHD-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
  • benzenoids
  • 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
  • benzenoid
  • 1-carboxy-2-haloaromatic compound
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound