| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:14 UTC |
|---|
| Update Date | 2025-03-21 18:05:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00057967 |
|---|
| Frequency | 54.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO5 |
|---|
| Molecular Mass | 211.0481 |
|---|
| SMILES | CC(=O)Nc1ccc(O)c(C(=O)O)c1O |
|---|
| InChI Key | XGAWGLJWLADKLU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | acylaminobenzoic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesacetanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsresorcinolssalicylic acidssecondary carboxylic acid amidesvinylogous acids |
|---|
| Substituents | carbonyl groupcarboxylic acidn-acetylarylaminebenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidesalicylic acidcarboxylic acid derivativeresorcinolorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacetamideacylaminobenzoic acid or derivativesacetanilide1-hydroxy-4-unsubstituted benzenoidcarboxamide grouphydroxybenzoic acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
