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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:20 UTC
Update Date2025-03-25 00:47:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163215
Frequency0.5
Structure
Chemical FormulaC27H28N2O4
Molecular Mass444.2049
SMILESC=CC1=C(C)C(=Cc2[nH]c(C=C3NC(=O)C(C)=C3C=C)c(C)c2CCC(=O)O)C=C(C)C1=O
InChI KeyYHYKTRWMRHPGEO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent p-quinones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • p-quinomethanes
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • quinomethane
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • p-quinomethane
  • organoheterocyclic compound
  • azacycle
  • p-quinone
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrroline
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound