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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:51 UTC
Update Date2025-03-25 01:01:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246789
Frequency0.5
Structure
Chemical FormulaC29H40N4O4
Molecular Mass508.305
SMILESCCC1=C(C)C(Cc2ccc(Cc3[nH]c(CC4NC(=O)C(C)C4CC)c(C)c3CCC(=O)O)[nH]2)NC1=O
InChI KeyOVMCNVBBQOHINB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-2-ones
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • metallotetrapyrrole skeleton
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound