| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:08 UTC |
|---|
| Update Date | 2025-03-25 00:58:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02231315 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O5S |
|---|
| Molecular Mass | 242.0249 |
|---|
| SMILES | CC1CC(=O)c2c(cc(O)cc2S(=O)O)O1 |
|---|
| InChI Key | JLVSICZPUZGHPE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzopyrans |
|---|
| Subclass | 1-benzopyrans |
|---|
| Direct Parent | chromones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzenoidshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundssulfinic acids |
|---|
| Substituents | etheraryl alkyl ketonesulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidketoneoxacycleorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
|---|
