| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:21 UTC |
|---|
| Update Date | 2025-03-25 00:48:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02165569 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H28N2O9 |
|---|
| Molecular Mass | 452.1795 |
|---|
| SMILES | CC(=O)NC1C(O)CC(OCCc2c[nH]c3ccccc23)(C(=O)O)OC1C(O)C(O)CO |
|---|
| InChI Key | PVMXNIQBHOZPON-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 | acetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesketalsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidspyrrolessecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidindolecarboxylic acid derivativepyran carboxylic acidorganic oxideacetalaromatic heteropolycyclic compoundketalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
|---|
