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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:53 UTC
Update Date2025-03-25 00:52:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196365
Frequency0.5
Structure
Chemical FormulaC38H42N4O9
Molecular Mass698.2952
SMILESCC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)C(C)=C4CCC(C)O)c(CCC(=O)O)c3CC(=O)O
InChI KeyMYELUBSZJHSOEM-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
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary alcohols
  • tetracarboxylic acids and derivatives
    • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • tetracarboxylic acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound