| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:56:50 UTC |
|---|
| Update Date | 2025-03-25 00:52:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02193960 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9ClO3 |
|---|
| Molecular Mass | 200.024 |
|---|
| SMILES | CCOc1cc(Cl)ccc1C(=O)O |
|---|
| InChI Key | JYELDIDGIRZNPI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | halobenzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds4-halobenzoic acidsalkyl aryl ethersaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
|---|
| Substituents | phenol etherethercarboxylic acidorganochloridebenzoylalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acid4-halobenzoic acidaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
|---|
