| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:38 UTC |
|---|
| Update Date | 2025-03-21 18:01:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00035230 |
|---|
| Frequency | 109.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H19NO11 |
|---|
| Molecular Mass | 401.0958 |
|---|
| SMILES | COc1cc(C(=O)NCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O |
|---|
| InChI Key | YBERRFUQLYGMOS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | acyl glycines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersalpha amino acidsalpha-amino acyl ester of carbohydratesanisolesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshippuric acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidbenzoylo-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundalcoholalpha-amino acid estermethoxybenzenen-acylglycinesecondary carboxylic acid amideanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherbenzamideorganic oxideorganopnictogen compoundpyran carboxylic acid or derivativeshippuric acid or derivativesbenzoic acid or derivativeshydroxy acidcarboxamide groupoxacycleorganic oxygen compoundpyranalpha-amino acyl ester of carbohydratesecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
