| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:53 UTC |
|---|
| Update Date | 2025-03-25 00:47:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02159950 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17NO5S |
|---|
| Molecular Mass | 287.0827 |
|---|
| SMILES | O=S(=O)(O)Oc1ccc(CCN2CCCC2)cc1O |
|---|
| InChI Key | AIICLNINRCYJNA-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 heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenethylaminesphenoxy compoundssulfuric acid monoesterstrialkylamines |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidphenethylaminephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
|---|
