| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:21 UTC |
|---|
| Update Date | 2025-03-25 00:58:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02234102 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO4 |
|---|
| Molecular Mass | 225.1001 |
|---|
| SMILES | COC(=O)c1c(CCCO)cnc(C)c1O |
|---|
| InChI Key | JHHZPDVPHKFHPA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridinecarboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalcohols and polyolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethyl estersmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous acids |
|---|
| Substituents | aromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
