| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:19 UTC |
|---|
| Update Date | 2025-03-21 18:07:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00067702 |
|---|
| Frequency | 44.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8N2O2 |
|---|
| Molecular Mass | 176.0586 |
|---|
| SMILES | O=C1CN=C(c2ccc(O)cc2)N1 |
|---|
| InChI Key | GLKYQXFSGAURJU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acids and derivativeshydrocarbon derivativesimidazolinonesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazolinoneorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundcarboximidamideorganic oxygen compound2-imidazolineimidazolinephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
