| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:49 UTC |
|---|
| Update Date | 2025-03-25 00:46:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155419 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H13NO6 |
|---|
| Molecular Mass | 303.0743 |
|---|
| SMILES | Cc1ncc(COC(=O)c2ccc(O)cc2)c(C(=O)O)c1O |
|---|
| InChI Key | OXINZUWGYHKCGB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | p-hydroxybenzoic acid alkyl esters |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acidsvinylogous acids |
|---|
| Substituents | pyridine carboxylic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinep-hydroxybenzoic acid alkyl estervinylogous acidpyridineorganic oxygen compoundcarboxylic acid esterpyridine carboxylic aciddicarboxylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
