| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:35 UTC |
|---|
| Update Date | 2025-03-25 00:46:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154868 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H12O3S |
|---|
| Molecular Mass | 272.0507 |
|---|
| SMILES | COc1ccc(-c2csc3cc(O)cc(O)c23)cc1 |
|---|
| InChI Key | LEQTZWWKWIFSJI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiophenes |
|---|
| Subclass | 1-benzothiophenes |
|---|
| Direct Parent | 1-benzothiophenes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesphenoxy compoundsthiophenes |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetherheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidthiophene1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneorganic oxygen compoundaromatic heteropolycyclic compound1-benzothiopheneanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
