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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:39 UTC
Update Date2025-03-25 01:01:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250915
Frequency0.5
Structure
Chemical FormulaC18H21NO3
Molecular Mass299.1521
SMILESO=C(O)CCNCCC(O)(c1ccccc1)c1ccccc1
InChI KeyCRHVBNPWWMGOSN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amino acids
  • aromatic alcohols
  • beta amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • tertiary alcohols
    • Substituents
  • aromatic alcohol
  • diphenylmethane
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • beta amino acid or derivatives
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine