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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:19 UTC
Update Date2025-03-25 00:46:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154266
Frequency0.5
Structure
Chemical FormulaC24H33N3O4
Molecular Mass427.2471
SMILESCC(=O)N1CCN(c2ccc(Oc3ccc(OCC(O)CNC(C)C)cc3)cc2)CC1
InChI KeyHNHYKVZWBIHIMO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • amino acids and derivatives
  • aniline and substituted anilines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • dialkylarylamines
  • diarylethers
  • hydrocarbon derivatives
  • n-arylpiperazines
  • organic oxides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenylpiperazines
  • secondary alcohols
  • tertiary carboxylic acid amides
  • Substituents
  • diaryl ether
  • phenol ether
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • piperazine
  • tertiary aliphatic/aromatic amine
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • aniline or substituted anilines
  • secondary amine
  • carboxamide group
  • phenylpiperazine
  • organic oxygen compound
  • 1,4-diazinane
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • diphenylether
  • amine
  • n-arylpiperazine
  • organooxygen compound