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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:19 UTC
Update Date2025-03-25 00:49:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172293
Frequency0.5
Structure
Chemical FormulaC27H33N3O7
Molecular Mass511.2318
SMILESCCC1=C(CCC(=O)O)C(C(=O)O)=NC1=Cc1[nH]c(CC2NC(=O)C(C)=C2CC)c(C)c1CCC(=O)O
InChI KeyKQBHJKOWIIKEPY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent dipyrrins
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • lactams
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
  • tricarboxylic acids and derivatives
    • Substituents
  • ketimine
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • imine
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • dipyrrin
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound