| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:50 UTC |
|---|
| Update Date | 2025-03-25 00:54:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02205434 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO5 |
|---|
| Molecular Mass | 253.095 |
|---|
| SMILES | NC(Cc1ccccc1)OC(=O)CC(O)C(=O)O |
|---|
| InChI Key | LQDGBOCPLFVUAJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundsecondary alcoholdicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
