Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:48 UTC
Update Date2025-03-21 18:40:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131379
Frequency19.3
Structure
Chemical FormulaC10H13NO3
Molecular Mass195.0895
SMILESCCN(CC(=O)O)c1ccc(O)cc1
InChI KeyAEOYQNAYFLFLMM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • amino acids
  • aniline and substituted anilines
  • carbonyl compounds
  • carboxylic acids
  • dialkylarylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • p-aminophenols
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • amino acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • alpha-amino acid
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • aniline or substituted anilines
  • aminophenol
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • p-aminophenol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound