| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:40 UTC |
|---|
| Update Date | 2025-03-25 00:58:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02232546 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO3 |
|---|
| Molecular Mass | 221.1052 |
|---|
| SMILES | CCC=CCCOC(=O)c1ccc(=O)[nH]c1 |
|---|
| InChI Key | IGWBRHWXMJZHFC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridine-3-carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeslactamsmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridinonesvinylogous amides |
|---|
| Substituents | vinylogous amidelactamaromatic heteromonocyclic compoundazacyclepyridine-3-carboxylic acidheteroaromatic compoundmethylpyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
|---|
