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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:41 UTC
Update Date2025-03-25 00:51:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189204
Frequency0.5
Structure
Chemical FormulaC22H27N3O2
Molecular Mass365.2103
SMILESCC(C)CC(N)C(O)=NC(Cc1c[nH]c2ccccc12)c1ccc(O)cc1
InChI KeyYOTBPHSIHCSNKG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carboximidic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • carboximidic acid
  • monocyclic benzene moiety
  • azacycle
  • indole
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound