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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:17 UTC
Update Date2025-03-25 01:00:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02243067
Frequency0.5
Structure
Chemical FormulaC31H34N2O5
Molecular Mass514.2468
SMILESC=CC1=C(C)C(=O)C(C)=C(CCC(=O)O)C1=Cc1[nH]c(C=C2N=C(C)C(C=C)=C2C)c(C)c1CCC(=O)O
InChI KeyWAUCOKKQGUHASO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent dipyrrins
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • p-quinomethanes
  • p-quinones
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • imine
  • cyclic ketone
  • carboxylic acid derivative
  • quinomethane
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • dipyrrin
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • p-quinomethane
  • azacycle
  • p-quinone
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • quinone