| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:51 UTC |
|---|
| Update Date | 2025-03-21 17:59:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00023957 |
|---|
| Frequency | 163.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11NO5 |
|---|
| Molecular Mass | 237.0637 |
|---|
| SMILES | Nc1c(O)cccc1C(=O)CCC(=O)C(=O)O |
|---|
| InChI Key | NDGXUAIQUCYGPO-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsamino fatty acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
|---|
| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydroxy fatty acidvinylogous amide1-hydroxy-4-unsubstituted benzenoidamino fatty acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketonemedium-chain keto acid |
|---|
