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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:15:00 UTC
Update Date2025-03-24 21:33:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01813499
Frequency0.7
Structure
Chemical FormulaC48H57N3O12
Molecular Mass867.3942
SMILESCCC1=C(C)C(CC2=NC(=Cc3c(C)c(CCC(=O)O)c(CC4NC(=O)c5c(C)c(CCC(=O)O)c(C)c(CCC(=O)O)c54)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O
InChI KeyFQAQOZIYTBXOCF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass pentacarboxylic acids and derivatives
Direct Parent pentacarboxylic acids and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • isoindoles
  • isoindolones
  • ketimines
  • lactams
  • organic oxides
  • organopnictogen compounds
  • phenylpropanoic acids
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary carboxylic acid amides
  • p-xylenes
    • Substituents
  • ketimine
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • imine
  • propargyl-type 1,3-dipolar organic compound
  • xylene
  • isoindolone
  • organic oxide
  • isoindoline
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • isoindole
  • organic 1,3-dipolar compound
  • carboxamide group
  • pentacarboxylic acid or derivatives
  • secondary carboxylic acid amide
  • p-xylene
  • organic oxygen compound
  • pyrroline
  • isoindole or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound