Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:00 UTC
Update Date2025-03-21 17:58:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00013195
Frequency340.5
Structure
Chemical FormulaC10H14N2O2
Molecular Mass194.1055
SMILESNC(Cc1ccccc1)C(N)C(=O)O
InChI KeyATWYGJDEMZGTHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenethylamines
Direct Parent amphetamines and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • 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
  • amphetamine or derivatives