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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:22 UTC
Update Date2025-03-21 18:28:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00072597
Frequency41.2
Structure
Chemical FormulaC22H23NO3
Molecular Mass349.1678
SMILESCN1C2CC(OC(=O)C(c3ccccc3)c3ccccc3)CC1C1OC12
InChI KeyWEHNRDJRORQYCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • morpholines
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • piperidines
  • trialkylamines
    • Substituents
  • diphenylmethane
  • carbonyl group
  • ether
  • amino acid or derivatives
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • oxirane
  • oxazinane
  • oxacycle
  • morpholine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound