| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:09 UTC |
|---|
| Update Date | 2025-03-21 18:00:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00029339 |
|---|
| Frequency | 127.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H17NO11 |
|---|
| Molecular Mass | 387.0802 |
|---|
| SMILES | O=C(CNC(=O)c1ccc(O)cc1O)OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | UVDSWLRXWHRZJR-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 benzenoids1-hydroxy-4-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 acidsresorcinolssalicylamidessecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidbenzoylo-glucuronidemonosaccharidepyran carboxylic acidresorcinol1-o-glucuronidebeta-hydroxy acidsaccharideacetalorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundalcoholalpha-amino acid estern-acylglycinesecondary carboxylic acid amidevinylogous acidsalicylic acid or derivativescarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativecarbonyl groupglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidbenzamideorganic oxideorganopnictogen compoundpyran carboxylic acid or derivativeshippuric acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsalicylamideoxacycleorganic oxygen compoundpyranalpha-amino acyl ester of carbohydratesecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
