| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:02 UTC |
|---|
| Update Date | 2025-03-25 00:46:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153567 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H16O4S |
|---|
| Molecular Mass | 316.0769 |
|---|
| SMILES | COc1ccc(C2Sc3ccccc3C(=O)C2O)cc1OC |
|---|
| InChI Key | WMNMPEADWPHHEO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | thiochromanes |
|---|
| Subclass | thioflavans |
|---|
| Direct Parent | thioflavans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzothiopyransalkyl aryl ethersalkylarylthioethersanisolesaryl alkyl ketonesdimethoxybenzeneshydrocarbon derivativesorganic oxidesphenoxy compoundssecondary alcoholsthiopyransvinylogous thioesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonealkyl aryl etheralkylarylthioetheraryl thioether1-benzothiopyranketonedimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzenealcoholvinylogous thioesterbenzothiopyranthiopyranmethoxybenzenethioflavanorganic oxygen compoundthioetheranisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
|---|
