| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:33 UTC |
|---|
| Update Date | 2025-03-21 18:30:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00082718 |
|---|
| Frequency | 54.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11NO4 |
|---|
| Molecular Mass | 221.0688 |
|---|
| SMILES | O=C(O)CC1c2ccccc2N=C(O)C1O |
|---|
| InChI Key | KCYUXFIYTZXMSY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | Not Available |
|---|
| Subclass | benzenoids |
|---|
| Direct Parent | benzenoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidazacycleorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
|---|
