Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:24 UTC
Update Date2025-03-21 18:33:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00096590
Frequency28.6
Structure
Chemical FormulaC10H11NO4
Molecular Mass209.0688
SMILESCN(CC(=O)O)C(=O)Oc1ccccc1
InChI KeyNVNJOUIFAMKMOI-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
  • carbamate esters
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carbonic acid derivative
  • carboxylic acid
  • carbamic acid ester
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound