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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:42 UTC
Update Date2025-03-25 00:58:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230313
Frequency0.5
Structure
Chemical FormulaC19H23NO3
Molecular Mass313.1678
SMILESCN(C)CCCC(O)(c1ccccc1)c1ccccc1C(=O)O
InChI KeyRRAUCJZGSVSGLY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • amino acids
  • aromatic alcohols
  • benzoic acids
  • benzoyl derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenylbutylamines
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • aromatic alcohol
  • diphenylmethane
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • carboxylic acid derivative
  • organic oxide
  • phenylbutylamine
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • tertiary amine
  • alcohol
  • tertiary aliphatic amine
  • benzoic acid or derivatives
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound