| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:37 UTC |
|---|
| Update Date | 2025-03-25 00:59:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02239227 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H10Cl3NO6 |
|---|
| Molecular Mass | 380.9574 |
|---|
| SMILES | N#Cc1cc(Cl)c(OC2OC(C(=O)O)C(Cl)C(O)C2O)cc1Cl |
|---|
| InChI Key | QNKWEDNVWVPLGL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | glucuronic acid derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsacetalsalkyl chloridesaryl chloridesbenzonitrilescarbonyl compoundscarboxylic acidschlorohydrinsdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupnitrilecarboxylic acidglucuronic acid or derivativeschlorohydrinaromatic heteromonocyclic compoundalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundalkyl halideoxanecarbonitrileorganoheterocyclic compound1,2-diolaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivatives1,4-dichlorobenzenehalohydrinbenzonitrilearyl halideoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compound |
|---|
