| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:39 UTC |
|---|
| Update Date | 2025-03-21 18:03:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044928 |
|---|
| Frequency | 75.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO5 |
|---|
| Molecular Mass | 211.0481 |
|---|
| SMILES | O=C(O)CNc1ccc(O)c(C(=O)O)c1 |
|---|
| InChI Key | KBMDSOXGOYFSRZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | salicylic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminesvinylogous acids |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativessalicylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidsecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundvinylogous acidorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminephenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
