| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:47 UTC |
|---|
| Update Date | 2025-03-25 00:47:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02161917 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H15NO7 |
|---|
| Molecular Mass | 309.0849 |
|---|
| SMILES | O=C(O)C1OC(c2cc3cccc(O)c3[nH]2)C(O)C(O)C1O |
|---|
| InChI Key | NWRJKERCSBZVKA-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcohols |
|---|
| Substituents | carbonyl groupethercarboxylic acidindole1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
|---|
