| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:35 UTC |
|---|
| Update Date | 2025-03-25 00:51:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02186673 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6FNO3 |
|---|
| Molecular Mass | 171.0332 |
|---|
| SMILES | Nc1c(C(=O)O)ccc(F)c1O |
|---|
| InChI Key | JCBVKPZJRVEYCO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | hydroxybenzoic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoids4-halobenzoic acidsamino acidsaryl fluoridesbenzoic acidsbenzoyl derivativesfluorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-fluorophenolsorganic oxidesorganofluoridesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
|---|
| Substituents | aryl fluoridecarboxylic acidamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amidehalobenzoic acid4-halobenzoic acidorganofluoridehalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoid2-fluorophenolaryl halidehydroxybenzoic acid4-halobenzoic acid or derivativesaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
|---|
