| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:15 UTC |
|---|
| Update Date | 2025-03-25 01:00:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02240693 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H17NO5 |
|---|
| Molecular Mass | 279.1107 |
|---|
| SMILES | CC(=O)OC(=O)c1ccccc1C(=O)OCCN(C)C |
|---|
| InChI Key | LTNXHBOJLQOZQH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | amino acids and derivativesbenzoyl derivativesbenzyloxycarbonylscarbonyl compoundscarboxylic acid anhydridescarboxylic acid estershydrocarbon derivativesorganic oxidesorganopnictogen compoundstrialkylaminestricarboxylic acids and derivatives |
|---|
| Substituents | benzyloxycarbonylcarbonyl groupamino acid or derivativestertiary aliphatic aminebenzoyltricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundcarboxylic acid anhydrideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compound |
|---|
