| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:44 UTC |
|---|
| Update Date | 2025-03-21 18:00:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00026057 |
|---|
| Frequency | 147.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7ClO3 |
|---|
| Molecular Mass | 186.0084 |
|---|
| SMILES | COc1ccc(Cl)cc1C(=O)O |
|---|
| InChI Key | HULDRQRKKXRXBI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | o-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acidsalkyl aryl ethersanisolesaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compounds |
|---|
| Substituents | phenol etherethercarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acido-methoxybenzoic acid or derivatives1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidhalobenzoic acid or derivativesmethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
|---|
