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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:51:41 UTC
Update Date2025-03-24 21:22:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01758148
Frequency0.7
Structure
Chemical FormulaC52H62N6O9
Molecular Mass914.4578
SMILESCC=CC(=O)C1=C(C)C(CC2NC(=O)C(CC)=C2C)=NC1=Cc1[nH]c(Cc2[nH]c(C=C3N=C(CC4NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)c(CCC(=O)O)c1C
InChI KeyXUVFFWKSCRRLBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha,beta-unsaturated ketones
  • azacyclic compounds
  • carboxylic acids
  • dipyrrins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • ketones
  • 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
  • alpha,beta-unsaturated ketone
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • dipyrrin
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • metallotetrapyrrole skeleton
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound