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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:01 UTC
Update Date2025-03-25 00:46:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158031
Frequency0.5
Structure
Chemical FormulaC35H37NO4
Molecular Mass535.2723
SMILESO=C(O)c1ccc(C(O)(CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChI KeyAMEKMSJEZVFSQO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • aromatic alcohols
  • azacyclic compounds
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenylbutylamines
  • piperidines
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • aromatic alcohol
  • diphenylmethane
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • carboxylic acid derivative
  • organic oxide
  • phenylbutylamine
  • organonitrogen compound
  • organopnictogen compound
  • benzoic acid
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • benzoic acid or derivatives
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound