| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:18 UTC |
|---|
| Update Date | 2025-03-25 00:51:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02185994 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12FNO4 |
|---|
| Molecular Mass | 241.075 |
|---|
| SMILES | O=C(Cc1ccc(F)cc1)NC(CO)C(=O)O |
|---|
| InChI Key | VDWQDGFQPOZFJJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsaryl fluoridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidesprimary alcoholssecondary carboxylic acid amidesserine and derivatives |
|---|
| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acidorganohalogen compoundbeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholphenylacetamidealcoholn-acyl-alpha-amino acidorganofluoridehydroxy acidcarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneserine or derivativesorganooxygen compound |
|---|
