| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:38 UTC |
|---|
| Update Date | 2025-03-25 00:59:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02239245 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H12F3NO7 |
|---|
| Molecular Mass | 363.0566 |
|---|
| SMILES | N#Cc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1C(F)(F)F |
|---|
| InChI Key | CIARXGSSCCDXFO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | o-glucuronides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsalkyl fluoridesbenzonitrilesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnitrilesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstrifluoromethylbenzenes |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupnitrilecarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundalkyl halideoxanecarbonitriletrifluoromethylbenzeneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesalkyl fluorideorganofluoridehydroxy acidbenzonitrileoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
|---|
