| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 08:39:24 UTC |
|---|
| Update Date | 2025-03-25 00:22:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01298175 |
|---|
| Frequency | 1.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H7NO2 |
|---|
| Molecular Mass | 125.0477 |
|---|
| SMILES | O=C(O)C1=CCN=CC1 |
|---|
| InChI Key | WHABLCAVKRHRSE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acids |
|---|
| Direct Parent | carboxylic acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
