| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:34 UTC |
|---|
| Update Date | 2025-03-21 18:33:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00094556 |
|---|
| Frequency | 29.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H17NO8 |
|---|
| Molecular Mass | 339.0954 |
|---|
| SMILES | COc1ccc2c(OC3OC(C(=O)O)C(O)C(O)C3O)c[nH]c2c1 |
|---|
| InChI Key | SPFFQPZXJALTRL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | o-glucuronides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsalkyl aryl ethersanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcohols |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidindoleo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyrananisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
|---|
