| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:28 UTC |
|---|
| Update Date | 2025-03-25 00:54:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02209217 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O4S |
|---|
| Molecular Mass | 240.0456 |
|---|
| SMILES | CC1(C)C=Cc2cc(S(=O)(=O)O)ccc2O1 |
|---|
| InChI Key | NYANRGZJFMCPSR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzopyrans |
|---|
| Subclass | 1-benzopyrans |
|---|
| Direct Parent | 2,2-dimethyl-1-benzopyrans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersarylsulfonic acids and derivativesbenzenoidshydrocarbon derivativesorganic oxidesorganosulfonic acidsoxacyclic compoundssulfonyls |
|---|
| Substituents | organosulfonic acid or derivativesether1-sulfo,2-unsubstituted aromatic compound2,2-dimethyl-1-benzopyranorganosulfonic acidalkyl aryl etherorganosulfur compoundoxacycleorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesaromatic heteropolycyclic compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
|---|
