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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:43:59 UTC
Update Date2025-03-24 22:11:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02024120
Frequency0.6
Structure
Chemical FormulaC45H45N3O17
Molecular Mass899.2749
SMILESCC(C1=Cc2[nH]c(c(CC(=O)O)c2CCC(=O)O)C=C2N=C(C=c3[nH]c(c(CC(=O)O)c3CCC(=O)O)=C1)C(CCC(=O)O)=C2CC(=O)O)=C1CCC(=O)C(CCC(=O)O)=C1CC(=O)O
InChI KeyJIHDOYUBVHQJRP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent dipyrrins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic monoterpenoids
  • azacyclic compounds
  • carboxylic acids
  • cyclohexenones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • cyclohexenone
  • monoterpenoid
  • ketimine
  • carbonyl group
  • carboxylic acid
  • imine
  • cyclic ketone
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • dipyrrin
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • aromatic monoterpenoid