| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:22 UTC |
|---|
| Update Date | 2025-03-25 00:57:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02223032 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H15NO6S |
|---|
| Molecular Mass | 277.062 |
|---|
| SMILES | NC(CO)Cc1cccc(OCOS(=O)(=O)O)c1 |
|---|
| InChI Key | YHOJYHMNEWEPSU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenethylamines |
|---|
| Direct Parent | amphetamines and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl sulfateshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsprimary alcoholssulfuric acid monoesters |
|---|
| Substituents | alcoholphenol ethersulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterprimary alcoholorganooxygen compoundamphetamine or derivatives |
|---|
