| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:43 UTC |
|---|
| Update Date | 2025-03-21 18:34:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00102284 |
|---|
| Frequency | 26.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O4S |
|---|
| Molecular Mass | 214.03 |
|---|
| SMILES | O=S(=O)(O)Oc1ccc2c(c1)CCC2 |
|---|
| InChI Key | QQCAEMXQLYWJQF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | arylsulfates |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesindanesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoesteraromatic homopolycyclic compoundorganic oxideorganic oxygen compoundindanesulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganooxygen compound |
|---|
