| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:54:34 UTC |
|---|
| Update Date | 2025-03-21 18:04:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00049496 |
|---|
| Frequency | 66.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO3 |
|---|
| Molecular Mass | 179.0582 |
|---|
| SMILES | Nc1ccc(C(=O)CC(=O)O)cc1 |
|---|
| InChI Key | JJNKOSPHHQUPAX-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 | amino acidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidsprimary amines |
|---|
| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidamino acid or derivativesamino acidbenzoylcarboxylic acid derivativebeta-keto acidorganic oxideorganonitrogen compoundorganopnictogen compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
|---|
