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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:01:21 UTC
Update Date2025-03-25 01:40:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02482427
Frequency0.5
Structure
Chemical FormulaC47H53N5O12
Molecular Mass879.3691
SMILESCC1=C(CCC(=O)O)C2=Cc3[nH]c(c(C)c3CCC(=O)O)Cc3[nH]c(c(C)c3CCC(=O)O)Cc3[nH]c(c(C)c3CCC(=O)O)C=c3[nH]c(c(CCC(=O)O)c3CCC(=O)O)=CC1=N2
InChI KeyGWBAYBQBPNSASW-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
  • hexacarboxylic acids and derivatives
  • 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
  • hexacarboxylic acid or derivatives
  • organooxygen compound