| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:19:10 UTC |
|---|
| Update Date | 2025-03-25 01:00:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02245158 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H17NO5S |
|---|
| Molecular Mass | 275.0827 |
|---|
| SMILES | CN(CCCC(O)c1ccc(O)cc1)S(=O)(=O)O |
|---|
| InChI Key | BAKBDBGEHOMTNV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfuric acid monoamides |
|---|
| Substituents | aromatic alcoholalcoholorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsulfuric acid monoamidesecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
