| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:51 UTC |
|---|
| Update Date | 2025-03-25 01:01:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02249051 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H23NO9 |
|---|
| Molecular Mass | 397.1373 |
|---|
| SMILES | COc1ccc(C=CC(=O)NCC(=O)OC2OC(CO)C(O)C(O)C2O)cc1 |
|---|
| InChI Key | WGDJCJJKEXZRFR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | acyl glycines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsalkyl aryl ethersalpha amino acidsalpha-amino acyl ester of carbohydratesanisolescarbonyl compoundscarboxylic acid esterscinnamic acids and derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercinnamic acid or derivativessaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholalpha-amino acid estercarboxamide groupmethoxybenzenen-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
