Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:10 UTC
Update Date2025-03-21 18:33:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098481
Frequency27.9
Structure
Chemical FormulaC21H24N2O4
Molecular Mass368.1736
SMILESCC(=O)N1CCN(c2ccc(OCC3COc4ccccc4O3)cc2)CC1
InChI KeyCBVOMPSKFAGBPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • amino acids and derivatives
  • aminophenyl ethers
  • aniline and substituted anilines
  • azacyclic compounds
  • benzo-1,4-dioxanes
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylarylamines
  • hydrocarbon derivatives
  • n-arylpiperazines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • para dioxins
  • phenoxy compounds
  • tertiary carboxylic acid amides
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • amino acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • benzodioxane
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • aminophenyl ether
  • tertiary amine
  • acetamide
  • benzo-1,4-dioxane
  • azacycle
  • aniline or substituted anilines
  • carboxamide group
  • phenylpiperazine
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • n-arylpiperazine
  • organooxygen compound