| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:41 UTC |
|---|
| Update Date | 2025-03-25 00:54:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207378 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NOS |
|---|
| Molecular Mass | 179.0405 |
|---|
| SMILES | Nc1cccc2c1C(=O)CCS2 |
|---|
| InChI Key | BAXBGRPOJAGZIS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | thiochromanes |
|---|
| Subclass | thiochromanes |
|---|
| Direct Parent | thiochromanes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzothiopyransalkylarylthioethersaryl alkyl ketonesbenzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesthiopyransvinylogous amidesvinylogous thioesters |
|---|
| Substituents | aryl alkyl ketonealkylarylthioetheraryl thioether1-benzothiopyranketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundthiochromanevinylogous thioestervinylogous amidebenzothiopyranthiopyranorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
|---|
