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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:44 UTC
Update Date2025-03-25 00:46:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157421
Frequency0.5
Structure
Chemical FormulaC16H21N3O2
Molecular Mass287.1634
SMILESO=C(O)CCN1CCN(Cc2c[nH]c3ccccc23)CC1
InChI KeyBVOHDXAAIDNYSS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpiperazines
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • trialkylamines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • indole
  • carboxylic acid derivative
  • aralkylamine
  • organic oxide
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 1,4-diazinane
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound