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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:28 UTC
Update Date2025-03-25 00:52:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190910
Frequency0.5
Structure
Chemical FormulaC26H26N2O4
Molecular Mass430.1893
SMILESC=CC1=CC(=Cc2[nH]c(C=C3NC(=O)C(C)=C3C=C)c(CCC(=O)O)c2C)C(C=C)=C1O
InChI KeyCMKFLABNXXOYRQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound