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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:03:29 UTC
Update Date2025-03-25 01:17:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02347447
Frequency0.5
Structure
Chemical FormulaC42H43N5O16
Molecular Mass873.2705
SMILESO=C(O)CCC1=C(CC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC(=O)O)c5CCC(=O)NCCO)C(CC(=O)O)=C4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O
InChI KeyVZZPTQXEDNSDEL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkanolamines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • fatty amides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-acylethanolamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • metallotetrapyrrole skeleton
  • alkanolamine
  • alcohol
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • n-acylethanolamine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound