| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:42 UTC |
|---|
| Update Date | 2025-03-25 00:53:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02200586 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H14O6S |
|---|
| Molecular Mass | 322.0511 |
|---|
| SMILES | COc1ccc(C2COc3cc(O)cc(O)c3S2(=O)=O)cc1 |
|---|
| InChI Key | QYSBYYJYPJOZMP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | anisoles |
|---|
| Direct Parent | anisoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersbenzoxathiinshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsoxathiinsphenoxy compoundssulfones |
|---|
| Substituents | monocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneoxacycleorganic oxideorganic oxygen compound1,4-benzooxathiinaromatic heteropolycyclic compoundanisolehydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compoundsulfone1,4-oxathiin |
|---|
