| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:17 UTC |
|---|
| Update Date | 2025-03-21 18:06:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00060468 |
|---|
| Frequency | 51.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H17NO8 |
|---|
| Molecular Mass | 327.0954 |
|---|
| SMILES | CC(=O)Nc1ccc(OC2C(C(=O)O)OC(O)C(O)C2O)cc1 |
|---|
| InChI Key | IQEBKEDEMHPWEI-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-diolsacetamidesacetanilidesalkyl aryl etherscarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesn-acetylarylaminearomatic heteromonocyclic compoundmonosacchariden-arylamidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundacetamide1,2-diolalcoholpyran carboxylic acid or derivativesacetanilidecarboxamide groupanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
|---|
