| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:07:29 UTC |
|---|
| Update Date | 2025-03-21 18:29:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00080201 |
|---|
| Frequency | 36.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H7Cl3O3 |
|---|
| Molecular Mass | 315.9461 |
|---|
| SMILES | O=C(O)c1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1 |
|---|
| InChI Key | BPMMMELSHRHWPP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | diphenylethers |
|---|
| Direct Parent | diphenylethers |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 3-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativescarboxylic acidsdiarylethersdichlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
|---|
| Substituents | diaryl etherphenol etherethercarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylcarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxide3-halobenzoic acidbenzoic acidaryl chloridechlorobenzenehalobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
|---|
