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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:54 UTC
Update Date2025-03-25 00:51:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189706
Frequency0.5
Structure
Chemical FormulaC20H24N2O3
Molecular Mass340.1787
SMILESCC(C)NCC(O)COc1ccc(C2C(=O)Nc3ccccc32)cc1
InChI KeyIGFIXVVKQAWNOW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • indolines
  • lactams
  • organic oxides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • lactam
  • amino acid or derivatives
  • indole
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • dihydroindole
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine