| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:32 UTC |
|---|
| Update Date | 2025-03-21 18:07:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00068208 |
|---|
| Frequency | 44.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H21N3O |
|---|
| Molecular Mass | 307.1685 |
|---|
| SMILES | CN(C)CCCC1(c2ccccn2)OCc2cc(C#N)ccc21 |
|---|
| InChI Key | CWMYUWZWECBYEZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isocoumarans |
|---|
| Subclass | isocoumarans |
|---|
| Direct Parent | isocoumarans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnitrilesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
|---|
| Substituents | ethernitrileazacycleheteroaromatic compoundtertiary aliphatic aminemethylpyridinedialkyl etheroxacycleisocoumaranpyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundaminecarbonitriletertiary amineorganooxygen compound |
|---|
