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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:44:19 UTC
Update Date2025-03-24 17:56:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01020632
Frequency1.4
Structure
Chemical FormulaC40H38N4O19S
Molecular Mass910.1851
SMILESO=C(O)CCC1=C(CC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC(=O)OS(=O)(=O)O)c5CCC(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O
InChI KeyGFGSPOXSXMCRSQ-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
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • metallotetrapyrrole skeleton
  • organooxygen compound