| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:43 UTC |
|---|
| Update Date | 2025-03-25 00:59:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02237217 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H9Cl3O3 |
|---|
| Molecular Mass | 329.9617 |
|---|
| SMILES | O=C(O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl |
|---|
| InChI Key | SBWWUUJBJQZCPG-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 compoundsalkyl aryl ethersaryl chloridesbenzoic acidsbenzoyl derivativesdichlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
|---|
| Substituents | phenol etherethercarboxylic acidorganochloridebenzoylalkyl aryl ethercarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxide3-halobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
|---|
