| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:37 UTC |
|---|
| Update Date | 2025-03-21 18:28:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00070830 |
|---|
| Frequency | 42.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12N2O |
|---|
| Molecular Mass | 176.095 |
|---|
| SMILES | O=C(c1cccnc1)C1CCCN1 |
|---|
| InChI Key | NCUIFIJWQZJPIN-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 | azacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyridines and derivativespyrrolidines |
|---|
| Substituents | secondary aliphatic aminearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsecondary amineorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineorganoheterocyclic compoundamine |
|---|
