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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:39 UTC
Update Date2025-03-25 00:47:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163906
Frequency0.5
Structure
Chemical FormulaC38H36N4O13
Molecular Mass756.2279
SMILESCC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC=O)c5CC(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CCC(=O)O)c3CC(=O)O
InChI KeyFLDSSEWBAZTNLA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hexacarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • aldehyde
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • alpha-hydrogen aldehyde
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • hexacarboxylic acid or derivatives
  • organooxygen compound