| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:15 UTC |
|---|
| Update Date | 2025-03-21 18:04:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00051069 |
|---|
| Frequency | 64.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13NO4 |
|---|
| Molecular Mass | 223.0845 |
|---|
| SMILES | NC(CCCC1=CC(=O)C(=O)C=C1)C(=O)O |
|---|
| InChI Key | KFVNEEIJRXRMJR-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 | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | amino fatty acidscarbocyclic fatty acidscarboxylic acidsfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativeso-benzoquinonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsquinones |
|---|
| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acido-benzoquinonecyclic ketoneamino fatty acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundquinone |
|---|
