| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:31:14 UTC |
|---|
| Update Date | 2025-03-21 18:41:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00136874 |
|---|
| Frequency | 18.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H17NO6S |
|---|
| Molecular Mass | 291.0777 |
|---|
| SMILES | CN(C)CCC(O)c1ccc(OS(=O)(=O)O)c(O)c1 |
|---|
| InChI Key | IQUUZQNJUIASMZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,3-aminoalcohols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesterstrialkylamines |
|---|
| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminealcohol1,3-aminoalcoholtertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
|---|
