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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:22:03 UTC
Update Date2025-03-25 01:49:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02529950
Frequency0.5
Structure
Chemical FormulaC50H47N5O20
Molecular Mass1037.2814
SMILESO=C(O)CCC1=C(CC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc6c(CCC(=O)O)c(CC(=O)O)c(cc1n2)c(CC(=O)O)c6CCC(=O)O)C(CC(=O)O)=C5CCC(=O)O)[nH]4)C(CC(=O)O)=C3CCC(=O)O
InChI KeyUFBIZFZMJUZUES-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
ClassNot Available
Subclass benzenoids
Direct Parent benzenoids
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
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound