Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-20 23:49:16 UTC |
---|
Update Date | 2025-03-21 18:02:11 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00036800 |
---|
Frequency | 95.9 |
---|
Structure | |
---|
Chemical Formula | C14H9Cl3O4 |
---|
Molecular Mass | 345.9566 |
---|
SMILES | O=C(O)COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl |
---|
InChI Key | BGVOYKSVODXFEN-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 | alkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acidschlorophenoxyacetatesdiarylethersdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
---|
Substituents | diaryl etherphenol etherphenoxyacetatecarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxidearyl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundchlorophenoxyacetatehydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
---|