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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:24 UTC
Update Date2025-03-25 00:47:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163348
Frequency0.5
Structure
Chemical FormulaC27H29N3O3
Molecular Mass443.2209
SMILESC=CC1=C(C)C(=O)NC1=Cc1[nH]c(C=C2N=C(C(=C)C)C(C=C)=C2C)c(CCC(=O)O)c1C
InChI KeyBLWIOWRPLAKZEP-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
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • ketimine
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • imine
  • 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
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound