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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:46 UTC
Update Date2025-03-25 00:47:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161880
Frequency0.5
Structure
Chemical FormulaC42H45N5O8
Molecular Mass747.3268
SMILESC=CC1=C(C)C(=CC2=NC(=CC3NC(=Cc4[nH]c(C=C5NC(=O)C(C=C)=C5C)c(C)c4CCC(=O)O)C(CCC(=O)O)=C3C)C(CCC(=O)O)=C2C)NC1=O
InChI KeyRQUQESIGUUCLGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • 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
  • amino acid or derivatives
  • amino acid
  • imine
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • metallotetrapyrrole skeleton
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine