| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:31 UTC |
|---|
| Update Date | 2025-03-25 00:54:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02209342 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H17NO4 |
|---|
| Molecular Mass | 251.1158 |
|---|
| SMILES | CC1=C(O)C(=O)C2=C(O)C(CC(C)C)NC(=O)C12 |
|---|
| InChI Key | YVPQBVPQYNMRKK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | vinylogous acids |
|---|
| Subclass | vinylogous acids |
|---|
| Direct Parent | vinylogous acids |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativesketoneslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativeketonealiphatic heteropolycyclic compoundsecondary carboxylic acid amidevinylogous acidorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
