| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:51 UTC |
|---|
| Update Date | 2025-03-25 00:49:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02175850 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H17NO7 |
|---|
| Molecular Mass | 311.1005 |
|---|
| SMILES | NC(CCC(COC(=O)c1ccc(O)cc1)C(=O)O)C(=O)O |
|---|
| InChI Key | HIXQSGGKCWXSCB-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 | delta amino acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstricarboxylic acids and derivativesp-hydroxybenzoic acid alkyl esters |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesbenzoate esteralpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesbenzoic acid or derivativesp-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
