| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:50:36 UTC |
|---|
| Update Date | 2025-03-21 18:02:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00039940 |
|---|
| Frequency | 86.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO2 |
|---|
| Molecular Mass | 167.0946 |
|---|
| SMILES | Cc1ccc(CO)c(CN)c1O |
|---|
| InChI Key | RYBPZMIOUHGBNX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | cresols |
|---|
| Direct Parent | ortho cresols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzyl alcoholshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundstoluenes |
|---|
| Substituents | aromatic alcoholalcoholmonocyclic benzene moietybenzyl alcohol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundo-cresolorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundtolueneorganooxygen compound |
|---|
