| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:25 UTC |
|---|
| Update Date | 2025-03-25 00:56:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220828 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H15NO4 |
|---|
| Molecular Mass | 273.1001 |
|---|
| SMILES | O=C(O)CCc1cccn1Cc1ccccc1C(=O)O |
|---|
| InChI Key | NHTSNWRLHBKRFE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundbenzoylsubstituted pyrrolecarboxylic acid derivativeorganic oxideorganic oxygen compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundbenzoic acidorganoheterocyclic compoundorganooxygen compound |
|---|
