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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:44 UTC
Update Date2025-03-25 00:47:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164105
Frequency0.5
Structure
Chemical FormulaC46H46N4O18
Molecular Mass942.2807
SMILESCC1=C(CCC(=O)O)C2=NC(CCC(=O)O)=C(CC(=O)O)C1=Cc1[nH]c(c(CCC(=O)O)c1CC(=O)O)C=C1N=C(C=c3[nH]c(c(CC(=O)O)c3CCC(=O)O)=C2)C(CC(=O)O)=C1CCC(=O)O
InChI KeyYUHSHWKNSIIYSC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent dipyrrins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azepines
  • carbonyl compounds
  • carboxylic acids
  • 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
  • azepine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound