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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:52 UTC
Update Date2025-03-21 18:39:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126726
Frequency20.2
Structure
Chemical FormulaC30H30FN3O4
Molecular Mass515.222
SMILESCC(C)c1c(C(O)=Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(N)C(=O)O
InChI KeyMHKMNLXMRCEDJQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl fluorides
  • azacyclic compounds
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • fluorobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • substituted pyrroles
    • Substituents
  • aryl fluoride
  • carboximidic acid
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • substituted pyrrole
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • fluorobenzene
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • organofluoride
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound