| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:01:54 UTC |
|---|
| Update Date | 2025-03-21 18:07:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00066671 |
|---|
| Frequency | 45.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H16N2OS |
|---|
| Molecular Mass | 296.0983 |
|---|
| SMILES | c1ccc2c(c1)N=C(N1CCOCC1)c1ccccc1S2 |
|---|
| InChI Key | KWTXAMKTVXUNSP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazepines |
|---|
| Subclass | dibenzothiazepines |
|---|
| Direct Parent | dibenzothiazepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amidinesazacyclic compoundsbenzenoidsdialkyl ethersdiarylthioethershydrocarbon derivativesimidolactamsmorpholinesorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | etheramidinearyl thioetherdialkyl etherpropargyl-type 1,3-dipolar organic compounddibenzothiazepinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamdiarylthioetherazacycleorganic 1,3-dipolar compoundoxazinaneoxacyclemorpholineorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
