| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:27:20 UTC |
|---|
| Update Date | 2025-03-21 18:39:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00127851 |
|---|
| Frequency | 20.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10F3NO4 |
|---|
| Molecular Mass | 265.0562 |
|---|
| SMILES | NC(Cc1ccc(O)c(OC(F)(F)F)c1)C(=O)O |
|---|
| InChI Key | YXNJCMVJVYIDSX-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 | tyrosine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl fluoridesalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylalanine and derivativesphenylpropanoic acidstrihalomethanes |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideamphetamine or derivativeshalomethanetrihalomethanetyrosine or derivativesalkyl fluorideorganofluoridearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
