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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:31:33 UTC
Update Date2025-03-25 00:43:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02136295
Frequency0.6
Structure
Chemical FormulaC48H66N6O9
Molecular Mass870.4891
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3NC(=O)C(C)C3Cc3[nH]c(CC4NC(=O)C(CC)C4C)c(C)c3CCC(=O)O)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C
InChI KeyVFVLJCKBYFATMD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass bilirubins
Direct Parent bilirubins
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • metallotetrapyrroles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-2-ones
  • pyrrolines
  • secondary carboxylic acid amides
  • tricarboxylic acids and derivatives
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • metallotetrapyrrole skeleton
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • bilirubin skeleton
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound