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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:15 UTC
Update Date2025-03-21 18:03:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00046376
Frequency72.3
Structure
Chemical FormulaC21H25NO3
Molecular Mass339.1834
SMILESCCOC(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChI KeyQRIZUOSGAPMNLH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • carbamate esters
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidinecarboxylic acids
  • piperidines
  • tertiary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • diphenylmethane
  • carbonyl group
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • carbamic acid ester
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • piperidinecarboxylic acid
  • organic nitrogen compound
  • piperidine
  • organoheterocyclic compound
  • organooxygen compound