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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:10 UTC
Update Date2025-03-21 18:36:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108334
Frequency24.8
Structure
Chemical FormulaC40H39N5O16
Molecular Mass845.2392
SMILESNC(Cc1c(CC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(CC(=O)O)=C5CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)C(CC(=O)O)=C3CCC(=O)O)C(=O)O
InChI KeyGMOIIWZARFEYLF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound