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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:55:03 UTC
Update Date2025-03-24 14:38:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00902455
Frequency1.6
Structure
Chemical FormulaC48H49N5O16
Molecular Mass951.3174
SMILESCc1c2[nH]c(c1CCC(=O)O)C=C1N=C(C=c3[nH]c(c(CCC(=O)O)c3CC(=O)O)=CC3=NC(=Cc4[nH]c(c(CCC(=O)O)c4C)C2)C(CCC(=O)O)=C3CC(=O)O)C(CCC(=O)O)=C1CC(=O)O
InChI KeyRYNUDRZBCOQEEH-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
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • imine
  • heteroaromatic compound
  • 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