| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:59 UTC |
|---|
| Update Date | 2025-03-21 18:01:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00033700 |
|---|
| Frequency | 107.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H10O4S |
|---|
| Molecular Mass | 298.03 |
|---|
| SMILES | O=S(=O)(O)Oc1ccc2ccc3cccc4ccc1c2c34 |
|---|
| InChI Key | PPWRGGIIPLXGJL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | pyrenes |
|---|
| Subclass | pyrenes |
|---|
| Direct Parent | pyrenes |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | arylsulfateshydrocarbon derivativesnaphthalenesorganic oxidesorganooxygen compoundsphenanthrenes and derivativessulfuric acid monoesters |
|---|
| Substituents | phenanthrenesulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homopolycyclic compoundpyreneorganic oxidenaphthaleneorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compound |
|---|
