| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:55 UTC |
|---|
| Update Date | 2025-03-25 00:49:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02175996 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10FNO5 |
|---|
| Molecular Mass | 243.0543 |
|---|
| SMILES | NC(=O)Cc1ccc(OC(O)(F)C(=O)O)cc1 |
|---|
| InChI Key | STGPXTNSHYFYMG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenoxyacetic acid derivatives |
|---|
| Direct Parent | phenoxyacetic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidesprimary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidealpha-halocarboxylic acid or derivativesphenol etherphenoxyacetatecarbonyl groupcarboxylic acidalpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidephenylacetamidealkyl fluorideorganofluoridecarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
