| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:16 UTC |
|---|
| Update Date | 2025-03-21 18:36:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00113394 |
|---|
| Frequency | 23.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H17NO8 |
|---|
| Molecular Mass | 315.0954 |
|---|
| SMILES | O=C(O)CC(O)CC(O)CCn1cc(O)c(=O)cc1C(=O)O |
|---|
| InChI Key | FSKSTIAMPAMPCJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | medium-chain hydroxy acids and derivatives |
|---|
| Direct Parent | medium-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesamino fatty acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic ketonesdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidssecondary alcoholsvinylogous amides |
|---|
| Substituents | pyridine carboxylic acid or derivativesfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidpolyhalopyridinefatty acidcyclic ketonecarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acid2-halopyridineorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridineamino fatty acidpyridineorganic oxygen compoundpyridine carboxylic acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
