| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:41 UTC |
|---|
| Update Date | 2025-03-21 17:57:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00007721 |
|---|
| Frequency | 647.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H17NO10 |
|---|
| Molecular Mass | 371.0852 |
|---|
| SMILES | O=C(CNC(=O)c1ccc(O)cc1)OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | RJQAFNPUKFIAIF-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 benzenoidsacetalsalpha amino acidsalpha-amino acyl ester of carbohydratesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshippuric acids and derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidepyran carboxylic acidbenzamide1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesalpha-amino acid esterhippuric acid or derivativesbenzoic acid or derivativeshydroxy acidcarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
