| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:35 UTC |
|---|
| Update Date | 2025-03-21 18:28:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00073148 |
|---|
| Frequency | 40.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H23NO6S |
|---|
| Molecular Mass | 333.1246 |
|---|
| SMILES | CC(C)NCC(O)COc1ccc(CCOS(=O)(=O)O)cc1 |
|---|
| InChI Key | ICEDTASVYZYQAO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | tyrosols and derivatives |
|---|
| Direct Parent | tyrosols and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalkyl sulfatesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheralkyl aryl etherorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundtyrosol derivativealcoholsecondary aliphatic amineorganic sulfuric acid or derivativessecondary aminearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
|---|
