| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:34 UTC |
|---|
| Update Date | 2025-03-21 18:00:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00030308 |
|---|
| Frequency | 122.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11NO6 |
|---|
| Molecular Mass | 253.0586 |
|---|
| SMILES | Nc1c(O)cccc1C(=O)CC(C(=O)O)C(=O)O |
|---|
| InChI Key | AMADRBRFHWOWQL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amide1-hydroxy-4-unsubstituted benzenoidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundketo aciddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compound1,3-dicarbonyl compoundaminealkyl-phenylketone |
|---|
