| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:06 UTC |
|---|
| Update Date | 2025-03-21 18:07:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00067143 |
|---|
| Frequency | 45.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H14O2S |
|---|
| Molecular Mass | 270.0715 |
|---|
| SMILES | COc1ccc(C2CC(=O)c3ccccc3S2)cc1 |
|---|
| InChI Key | ACMKRVIBDUVRPR-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 ketoneshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsthiopyransvinylogous thioesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonealkyl aryl etheralkylarylthioetheraryl thioether1-benzothiopyranketoneorganic oxidearomatic heteropolycyclic compoundvinylogous thioesterbenzothiopyranthiopyranmethoxybenzenethioflavanorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
|---|
