Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:39 UTC
Update Date2025-03-21 18:39:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123834
Frequency20.8
Structure
Chemical FormulaC16H17NO3
Molecular Mass271.1208
SMILESNC(CC(O)(c1ccccc1)c1ccccc1)C(=O)O
InChI KeyDKSTXOCKFBGGAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • aromatic alcohols
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • diphenylmethane
  • carbonyl group
  • carboxylic acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound