| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:46 UTC |
|---|
| Update Date | 2025-03-25 00:56:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219314 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C26H31NO10 |
|---|
| Molecular Mass | 517.1948 |
|---|
| SMILES | COc1cc(CC2C(=O)NCCC2Cc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)ccc1O |
|---|
| InChI Key | CIBIMRYWNNLHPX-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 | 1-hydroxy-2-unsubstituted benzenoids3-benzylpiperidines4-benzylpiperidinesacetalsalkyl aryl ethersanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdelta lactamsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspiperidinonespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietylactamcarboxylic acido-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidacetalorganonitrogen compoundpiperidinoneoxaneorganoheterocyclic compoundalcoholbenzylpiperidineazacyclemethoxybenzenedelta-lactamsecondary carboxylic acid amideanisolephenolhydrocarbon derivativephenoxy compoundcarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivative3-benzylpiperidineorganic oxideorganopnictogen compoundpiperidine4-benzylpiperidinepyran carboxylic acid or derivativeshydroxy acidcarboxamide groupoxacyclemonocarboxylic acid or derivativespyransecondary alcoholbenzenoidorganic nitrogen compound |
|---|
