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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:02 UTC
Update Date2025-03-25 00:53:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199043
Frequency0.5
Structure
Chemical FormulaC19H28N2O4
Molecular Mass348.2049
SMILESCC1CC(C(=O)O)OC(Oc2ccc(N3CCN(C)CC3)cc2)C1C
InChI KeyRESPQJRMMKPBPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • amino acids
  • aniline and substituted anilines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylarylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-arylpiperazines
  • n-methylpiperazines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • pyran carboxylic acid
  • organic oxide
  • acetal
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • dialkylarylamine
  • tertiary amine
  • pyran carboxylic acid or derivatives
  • azacycle
  • aniline or substituted anilines
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • n-methylpiperazine
  • phenylpiperazine
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • n-arylpiperazine
  • organooxygen compound