| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:53 UTC |
|---|
| Update Date | 2025-03-21 18:37:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00114906 |
|---|
| Frequency | 22.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H13NO5 |
|---|
| Molecular Mass | 227.0794 |
|---|
| SMILES | CC(O)C(=O)NC(Cc1ccco1)C(=O)O |
|---|
| InChI Key | PGPCDZNLVWZIAT-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholn-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
