| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:21 UTC |
|---|
| Update Date | 2025-03-25 00:47:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163250 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H21NO11 |
|---|
| Molecular Mass | 427.1115 |
|---|
| SMILES | O=C(O)C1CC(Cc2cc(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)C(O)=N1 |
|---|
| InChI Key | AQFVDYKHQVEWQU-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha amino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic carboximidic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspropargyl-type 1,3-dipolar organic compoundspyran carboxylic acidspyrroline 2-carboxylic acidssecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acidpropargyl-type 1,3-dipolar organic compound1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclepyrroline carboxylic acid or derivativesorganic 1,3-dipolar compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidpyrroline 2-carboxylic acidoxacyclepyrrolinepyrroline carboxylic acidpyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundcyclic carboximidic acid |
|---|
