| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:01:35 UTC |
|---|
| Update Date | 2025-03-21 18:06:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00065916 |
|---|
| Frequency | 46.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H17NO8 |
|---|
| Molecular Mass | 351.0954 |
|---|
| SMILES | O=C(O)Cc1c(C2OC(C(=O)O)C(O)C(O)C2O)[nH]c2ccccc12 |
|---|
| InChI Key | QLANNRZHOPWKNY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | c-glucuronides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcohols |
|---|
| Substituents | carbonyl groupethercarboxylic acidindolemonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidoxacyclepyranpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
|---|
