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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:57 UTC
Update Date2025-03-25 00:51:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189836
Frequency0.5
Structure
Chemical FormulaC27H26N4O2
Molecular Mass438.2056
SMILESC=Cc1c(C)c2cc3nc-3cc3[nH]c(cc4nc(cc1[nH]2)C(C)=C4C)c(CCC(=O)O)c3C
InChI KeyGYPAQECZADRJAT-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
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound