| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:48 UTC |
|---|
| Update Date | 2025-03-21 18:03:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00045294 |
|---|
| Frequency | 74.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H21NO8 |
|---|
| Molecular Mass | 355.1267 |
|---|
| SMILES | O=C(NC(Cc1ccccc1)C(=O)O)OC1CC(O)C(O)C(O)C1O |
|---|
| InChI Key | GIVBXWXWMAKKNE-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 | phenylalanine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbamate esterscarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholcarbonic acid derivativecyclohexanolcarbamic acid estercyclitol or derivativescyclic alcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
