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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:26:56 UTC
Update Date2025-03-24 14:19:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00835456
Frequency1.8
Structure
Chemical FormulaC46H45N3O19
Molecular Mass943.2647
SMILESO=C(O)CCC1=C(CC(=O)O)C(=C(CCC(=O)O)C2=Cc3[nH]c(c(CCC(=O)O)c3CC(=O)O)C=C3N=C(C=c4[nH]c(c(CC(=O)O)c4CCC(=O)O)=C2)C(CCC(=O)O)=C3CC(=O)O)CC1=O
InChI KeyFYKHLJHEKBXLJP-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
  • cyclic ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • 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