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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:16 UTC
Update Date2025-03-25 01:01:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249990
Frequency0.5
Structure
Chemical FormulaC15H18N2O3
Molecular Mass274.1317
SMILESCOc1ccc2oc(N3CCN(C)CC3)cc(=O)c2c1
InChI KeyIHLDXBWJZKTBPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent n-arylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • chromones
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-methylpiperazines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • trialkylamines
  • vinylogous amides
    • Substituents
  • phenol ether
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • pyranone
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • vinylogous amide
  • benzopyran
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • n-methylpiperazine
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound