| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:00 UTC |
|---|
| Update Date | 2025-03-21 18:37:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00117646 |
|---|
| Frequency | 22.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H19NO10 |
|---|
| Molecular Mass | 433.1009 |
|---|
| SMILES | O=C1CC(c2cccnc2)Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)c21 |
|---|
| InChI Key | MKUKRPZDGYPGKZ-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersaryl alkyl ketonesazacyclic compoundsbeta hydroxy acids and derivativescarboxylic acidschromonesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholsvinylogous acids |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidaryl alkyl ketone1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalchromonearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundchromaneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundaryl ketone |
|---|
