| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:06:50 UTC |
|---|
| Update Date | 2025-03-25 00:56:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02217147 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO6 |
|---|
| Molecular Mass | 269.0899 |
|---|
| SMILES | Cc1c(CCC(=O)O)coc1C(=O)CC(N)C(=O)O |
|---|
| InChI Key | LPSZNPVWBUGSFW-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 | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl alkyl ketonescarboxylic acidsdicarboxylic acids and derivativesfuroic acid and derivativesgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | furancarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundfuroic acid or derivativesheteroaromatic compoundgamma-keto acidoxacycleorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
|---|
