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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:43 UTC
Update Date2025-03-25 00:49:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175542
Frequency0.5
Structure
Chemical FormulaC41H43N3O10
Molecular Mass737.2948
SMILESC=CC1=C(C)C(=CC2=NC(=Cc3[nH]c(C=C4C(C=C)=C(C)C(=O)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O
InChI KeyVQFLIXVKXXJVEH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tetracarboxylic acids and derivatives
Direct Parent tetracarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids
  • dipyrrins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • lactams
  • organic oxides
  • organopnictogen compounds
  • p-quinomethanes
  • p-quinones
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • ketimine
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • imine
  • cyclic ketone
  • quinomethane
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • dipyrrin
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • p-quinomethane
  • organoheterocyclic compound
  • azacycle
  • p-quinone
  • heteroaromatic compound
  • tetracarboxylic acid or derivatives
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • quinone