| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:19 UTC |
|---|
| Update Date | 2025-03-21 18:30:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00082166 |
|---|
| Frequency | 35.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13NO6 |
|---|
| Molecular Mass | 267.0743 |
|---|
| SMILES | Nc1ccccc1C(=O)CC(O)(CC(=O)O)C(=O)O |
|---|
| InChI Key | XOSXRICZLSZUFF-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 | alpha hydroxy acids and derivativesamino acidsamino fatty acidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbranched fatty acidsbutyrophenonescarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminestertiary alcoholsvinylogous amides |
|---|
| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidalpha-hydroxy acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholvinylogous amidehydroxy acidamino fatty acidbranched fatty acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundtertiary alcoholketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketonemedium-chain keto acid |
|---|
