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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:06:35 UTC
Update Date2025-03-25 01:18:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02354377
Frequency0.5
Structure
Chemical FormulaC49H47N5O20
Molecular Mass1025.2814
SMILESO=C(O)CCC1=C(CC(=O)O)C2=Cc3[nH]c(c(CCC(=O)O)c3CC(=O)O)-c3cc4[nH]c(c(CC(=O)O)c(CCC(=O)O)c(n3)C=c3[nH]c(c(CC(=O)O)c3CCC(=O)O)=CC1=N2)c(CCC(=O)O)c4CC(=O)O
InChI KeyCNNQNOLZNUROGC-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