| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:15 UTC |
|---|
| Update Date | 2025-03-25 01:01:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02247715 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9ClO3 |
|---|
| Molecular Mass | 200.024 |
|---|
| SMILES | CCOc1cccc(Cl)c1C(=O)O |
|---|
| InChI Key | NQYCWKVXKAVSAC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | 2-halobenzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundsvinylogous halides |
|---|
| Substituents | phenol ether2-halobenzoic acidethercarboxylic acidorganochloridebenzoylalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidvinylogous halidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
|---|
