| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:50 UTC |
|---|
| Update Date | 2025-03-21 18:31:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00085726 |
|---|
| Frequency | 33.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7ClO3 |
|---|
| Molecular Mass | 186.0084 |
|---|
| SMILES | COC(=O)c1cc(Cl)ccc1O |
|---|
| InChI Key | KJWHRMZKJXOWFC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | o-hydroxybenzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids3-halobenzoic acids and derivativesaryl chloridesbenzoyl derivativeschlorobenzeneshalophenolshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsp-chlorophenolssalicylic acid and derivativesvinylogous acids |
|---|
| Substituents | 3-halobenzoic acid or derivativesorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxidemethyl ester4-halophenolaryl chloridechlorobenzene4-chlorophenolhalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
|---|
