| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:14 UTC |
|---|
| Update Date | 2025-03-21 17:59:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00022543 |
|---|
| Frequency | 175.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6ClNO2 |
|---|
| Molecular Mass | 171.0087 |
|---|
| SMILES | Nc1ccc(Cl)cc1C(=O)O |
|---|
| InChI Key | IFXKXCLVKQVVDI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | 3-halobenzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
|---|
| Substituents | carboxylic acidamino acid or derivativesamino acidorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenevinylogous amidehalobenzoic acidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
|---|
