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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:30 UTC
Update Date2025-03-25 00:52:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190977
Frequency0.5
Structure
Chemical FormulaC38H41N3O4
Molecular Mass603.3097
SMILESC=CC1=C(C)C2=Cc3[nH]c(c(CCC(=O)O)c3C)C=C(C(C)=C3CCC(CCC(=O)O)=C3C)C=c3[nH]c(c(C)c3C=C)=CC1=N2
InChI KeyPOVRCCDQJLYUKW-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
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • monoterpenoid
  • 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
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • aromatic monoterpenoid