| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 00:05:01 UTC |
|---|
| Update Date | 2025-03-21 18:28:49 UTC |
|---|
| HMDB ID | HMDB0015636 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00074218 |
|---|
| Name | Agomelatine |
|---|
| Frequency | 40.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H17NO2 |
|---|
| Molecular Mass | 243.1259 |
|---|
| SMILES | COc1ccc2cccc(CCNC(C)=O)c2c1 |
|---|
| InChI Key | YJYPHIXNFHFHND-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalenes |
|---|
| Direct Parent | naphthalenes |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | acetamidesalkyl aryl ethersanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | phenol ethercarbonyl groupetheraromatic homopolycyclic compoundalkyl aryl ethercarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidenaphthaleneorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
|---|
