| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:52 UTC |
|---|
| Update Date | 2025-03-25 00:47:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02159905 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H12O4S |
|---|
| Molecular Mass | 276.0456 |
|---|
| SMILES | O=S(O)c1ccc2c(c1)CCc1cc(O)cc(O)c1-2 |
|---|
| InChI Key | YJGLZPAMGVMSGX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenanthrenes and derivatives |
|---|
| Subclass | phenanthrenes and derivatives |
|---|
| Direct Parent | phenanthrenes and derivatives |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesnaphthalenesorganic oxidesorganooxygen compoundsorganosulfur compoundssulfinic acids |
|---|
| Substituents | phenanthrenesulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundsulfinic acidorganic oxidenaphthaleneorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
