| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 09:18:34 UTC |
|---|
| Update Date | 2025-03-24 20:16:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01391516 |
|---|
| Frequency | 0.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5NO3 |
|---|
| Molecular Mass | 139.0269 |
|---|
| SMILES | NC(=O)c1cc(=O)cco1 |
|---|
| InChI Key | QIZKFXQBLRSYHT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acid derivatives |
|---|
| Direct Parent | 2-heteroaryl carboxamides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | carboxylic acids and derivativescyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyranones and derivatives |
|---|
| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundheteroaromatic compoundcyclic ketone2-heteroaryl carboxamideoxacycleorganic oxideorganic oxygen compoundpyranorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
