| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:42 UTC |
|---|
| Update Date | 2025-03-21 18:06:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00063795 |
|---|
| Frequency | 48.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO6S |
|---|
| Molecular Mass | 263.0464 |
|---|
| SMILES | CNCC(O)c1cc(O)cc(OS(=O)(=O)O)c1 |
|---|
| InChI Key | XVOMHBYKZOFWMF-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amine1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
|---|
