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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:50 UTC
Update Date2025-03-21 18:34:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102571
Frequency26.5
Structure
Chemical FormulaC36H42N4O8
Molecular Mass658.3003
SMILESCC1=C(CCC(=O)O)C2=Cc3[nH]c(c(CCC(=O)O)c3C)Cc3[nH]c(c(CCC(=O)O)c3C)Cc3[nH]c(c(CCC(=O)O)c3C)CC1=N2
InChI KeySYOYECLHJNSLGM-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
  • dipyrrins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • tetracarboxylic acids and derivatives
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • imine
  • heteroaromatic compound
  • tetracarboxylic acid or derivatives
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • dipyrrin
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound