| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:56 UTC |
|---|
| Update Date | 2025-03-25 00:53:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02203358 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H21NO8 |
|---|
| Molecular Mass | 427.1267 |
|---|
| SMILES | O=C(O)C1OC(Oc2ccc3c(Nc4ccc(O)cc4)cccc3c2)C(O)C(O)C1O |
|---|
| InChI Key | YAWWACJSDGMKGS-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 benzenoidsacetalsamino acidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthalenesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholssecondary amines |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidsecondary amineoxacyclemonocarboxylic acid or derivativesnaphthalenepyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
|---|
