Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:57:48 UTC
Update Date2025-03-21 18:05:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00056925
Frequency55.9
Structure
Chemical FormulaC14H13NO2
Molecular Mass227.0946
SMILESNC(C(=O)O)(c1ccccc1)c1ccccc1
InChI KeyYBONNYNNFBAKLI-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
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • diphenylmethane
  • carbonyl group
  • carboxylic acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • 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