| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:56:46 UTC |
|---|
| Update Date | 2025-03-25 00:52:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02193842 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8Cl2O2 |
|---|
| Molecular Mass | 217.9901 |
|---|
| SMILES | CCOC(=O)c1cccc(Cl)c1Cl |
|---|
| InChI Key | DFAQGXDIXJVBAQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 2-halobenzoic acids and derivatives3-halobenzoic acids and derivativesaryl chloridesbenzoyl derivativescarboxylic acid estersdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsvinylogous halides |
|---|
| Substituents | 3-halobenzoic acid or derivativesorganochloridebenzoylbenzoate estercarboxylic acid derivativeorganohalogen compoundorganic oxide1,2-dichlorobenzenearyl chloridechlorobenzenehalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativehalobenzeneorganooxygen compound |
|---|
