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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:19:43 UTC
Update Date2025-03-24 21:35:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01824613
Frequency0.7
Structure
Chemical FormulaC55H58N6O17
Molecular Mass1074.3858
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(CC2=C(CCC(=O)O)c3cc4[nH]c(cc5nc(cc6[nH]c(cc2n3)c(CCC(=O)O)c6CC(=O)O)C(CCC(=O)O)=C5CC(=O)O)c(CC(=O)O)c4CCC(=O)O)c(CCC(=O)O)c1C
InChI KeyCMKJWUYQVZVPQT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound