| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:14 UTC |
|---|
| Update Date | 2025-03-21 18:36:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00110918 |
|---|
| Frequency | 24.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8Cl2O4 |
|---|
| Molecular Mass | 249.98 |
|---|
| SMILES | O=C(O)C(CO)Oc1ccc(Cl)cc1Cl |
|---|
| InChI Key | YBDPYDDMQJKONV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenoxyacetic acid derivatives |
|---|
| Direct Parent | phenoxyacetic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundsprimary alcoholssugar acids and derivatives |
|---|
| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzenebeta-hydroxy acidorganic oxideglyceric_acidprimary alcoholaryl chloridechlorobenzenealcoholhydroxy acidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
|---|
