| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:53 UTC |
|---|
| Update Date | 2025-03-21 18:39:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00126779 |
|---|
| Frequency | 20.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO5 |
|---|
| Molecular Mass | 253.095 |
|---|
| SMILES | NC(CCc1cccc(O)c1CC(=O)O)C(=O)O |
|---|
| InChI Key | VOLCLBAZKAQHTN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylacetic acids |
|---|
| Direct Parent | 2(hydroxyphenyl)acetic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound2(hydroxyphenyl)acetic acid |
|---|
