| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:04 UTC |
|---|
| Update Date | 2025-03-21 18:01:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00033899 |
|---|
| Frequency | 106.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H23NO9 |
|---|
| Molecular Mass | 385.1373 |
|---|
| SMILES | COc1cc(CCNC(C)=O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | JLQBRJZOIWABBT-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 heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsacetamidesalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupmethoxybenzeneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
|---|
