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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:12 UTC
Update Date2025-03-25 00:55:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213410
Frequency0.5
Structure
Chemical FormulaC20H25NO2
Molecular Mass311.1885
SMILESCN(C)CCCC(c1ccccc1)c1ccc(CC(=O)O)cc1
InChI KeyBQGQBTJKVUWBGU-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 monoterpenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organopnictogen compounds
  • phenylbutylamines
  • trialkylamines
  • Substituents
  • diphenylmethane
  • monoterpenoid
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • p-cymene
  • carboxylic acid derivative
  • organic oxide
  • phenylbutylamine
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • tertiary aliphatic amine
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • aromatic monoterpenoid