| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:47 UTC |
|---|
| Update Date | 2025-03-21 18:29:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00076018 |
|---|
| Frequency | 38.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H15NO8 |
|---|
| Molecular Mass | 313.0798 |
|---|
| SMILES | O=C(O)c1ccc(NC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
|---|
| InChI Key | RKISQSOWYVMOQR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | n-glucuronides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | amino acidsbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylalkylaminespyran carboxylic acidssecondary alcoholssecondary alkylarylamines |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylmonosaccharidecarboxylic acid derivativepyran carboxylic acidn-glucuronidebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacyclepyransecondary alcoholdicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
|---|
