| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:13 UTC |
|---|
| Update Date | 2025-03-25 00:51:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02185830 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H13NO2 |
|---|
| Molecular Mass | 227.0946 |
|---|
| SMILES | O=C(CCc1ccc(O)cc1)c1cccnc1 |
|---|
| InChI Key | NYYSWOXWLDIHDZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl alkyl ketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-2-unsubstituted benzenoidorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compound |
|---|
