| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:35 UTC |
|---|
| Update Date | 2025-03-25 00:51:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02186701 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7F2NO3 |
|---|
| Molecular Mass | 203.0394 |
|---|
| SMILES | Nc1c(O)cccc1C(F)(F)C(=O)O |
|---|
| InChI Key | QAFCNTIDWXRTLK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsalkyl fluoridesalpha-halocarboxylic acidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundsprimary amines |
|---|
| Substituents | alpha-halocarboxylic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidealkyl fluorideorganofluoride1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
