| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:17 UTC |
|---|
| Update Date | 2025-03-25 00:46:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154172 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O4S |
|---|
| Molecular Mass | 216.0456 |
|---|
| SMILES | COc1cc(OC)cc(S(C)(=O)=O)c1 |
|---|
| InChI Key | RICPDJYXHNEBLW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | methoxybenzenes |
|---|
| Direct Parent | dimethoxybenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesphenoxy compoundssulfones |
|---|
| Substituents | phenol etheretheralkyl aryl etherorganosulfur compoundaromatic homomonocyclic compounddimethoxybenzeneorganic oxidesulfonylorganic oxygen compoundm-dimethoxybenzeneanisolehydrocarbon derivativephenoxy compoundorganooxygen compoundsulfonebenzenesulfonyl group |
|---|
