| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:53 UTC |
|---|
| Update Date | 2025-03-21 18:28:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00073871 |
|---|
| Frequency | 40.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H17NO9 |
|---|
| Molecular Mass | 355.0903 |
|---|
| SMILES | Cc1ccc2c(c1)OC(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)N2 |
|---|
| InChI Key | HVHBXNPZPJOHNG-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 | acetalsazacyclic compoundsbenzenoidsbenzomorpholinesbenzoxazinonesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidbenzomorpholine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclebenzoxazinehydroxy acidcarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinemonocarboxylic acid or derivativesbenzoxazinonepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
|---|
