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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:41:45 UTC
Update Date2025-03-25 01:09:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02296589
Frequency0.5
Structure
Chemical FormulaC51H52N4O16
Molecular Mass976.3378
SMILESCC1=C(CC(=O)O)c2cc3[nH]c(cc4c(C)c(CCC(=O)O)c(CCC(=O)O)c(C)c(n2)=Cc2[nH]c(c(CCC(=O)O)c2CC(=O)O)C=C2N=C(C=4)C(CC(=O)O)=C2CC1)c(CCC(=O)O)c3CC(=O)O
InChI KeyYPOVRXWSJQRZJD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent dipyrrins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • 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
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound