| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:22 UTC |
|---|
| Update Date | 2025-03-25 00:59:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238651 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H21NO8 |
|---|
| Molecular Mass | 355.1267 |
|---|
| SMILES | O=C(O)C1OC(Oc2ccc(N3CCC(O)C3)cc2)C(O)C(O)C1O |
|---|
| InChI Key | VPSWQVZHUJCXKY-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 | 1,2-aminoalcoholsacetalsamino acidsaniline and substituted anilinesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpyrrolidinespyran carboxylic acidspyrrolessecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acid1-phenylpyrrolidinearomatic heteromonocyclic compoundamino acid or derivativesamino acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaltertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundoxanedialkylarylaminepyrrolidinetertiary amineorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycle1,2-aminoalcoholaniline or substituted anilineshydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamine |
|---|
