| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:30 UTC |
|---|
| Update Date | 2025-03-21 18:00:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00030119 |
|---|
| Frequency | 123.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C25H35N3O5S |
|---|
| Molecular Mass | 489.2297 |
|---|
| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)c1ccc(N)cc1 |
|---|
| InChI Key | JYPQBVCNQIBQRI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aminosulfinyl compoundsamphetamines and derivativescarbamate esterscarbonyl compoundsdialkyl ethershydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholssulfinic acids and derivativestetrahydrofurans |
|---|
| Substituents | carbonyl groupetheraromatic heteromonocyclic compoundsulfinic acid derivativeorganosulfur compounddialkyl etherorganic oxidephenylbutylaminesulfinyl compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesalcoholcarbonic acid derivativetetrahydrofurancarbamic acid esteraminosulfinyl compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
