| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:44 UTC |
|---|
| Update Date | 2025-03-25 00:48:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02166453 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H9Cl3O2 |
|---|
| Molecular Mass | 277.9668 |
|---|
| SMILES | CC(=O)OC(=Cc1ccccc1)C(Cl)(Cl)Cl |
|---|
| InChI Key | UXIULYDDYYJQMN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl chloridescarbonyl compoundsenol estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl halidehydrocarbon derivativeenol esterorganooxygen compound |
|---|
