| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:59 UTC |
|---|
| Update Date | 2025-03-25 01:01:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02249348 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H17NO7 |
|---|
| Molecular Mass | 311.1005 |
|---|
| SMILES | COc1cc(CC(NC(C)=O)C(=O)O)ccc1OCC(=O)O |
|---|
| InChI Key | SDOCFXAZVDECNK-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 | acetamidesalkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenoxyacetic acid derivativesphenylpropanoic acidssecondary carboxylic acid amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesacetamiden-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidmethoxylated amphetaminecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundanisoledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
