| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:52 UTC |
|---|
| Update Date | 2025-03-25 01:02:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02253622 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H19NO13S |
|---|
| Molecular Mass | 453.0577 |
|---|
| SMILES | O=C(CNC(=O)c1cccc(O)c1O)OC1OC(COS(=O)(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | DYAHGZVKMJXICK-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 benzenoidsacetalsalkyl sulfatesalpha amino acidsalpha-amino acyl ester of carbohydratesbenzoyl derivativescarbonyl compoundscarboxylic acid estershippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessalicylamidessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoestersvinylogous acids |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidebenzamidesaccharideorganic oxideacetalalkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholorganic sulfuric acid or derivativesalpha-amino acid esterhippuric acid or derivativesbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acylglycinesalicylamideoxacyclesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativescarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
