| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:40 UTC |
|---|
| Update Date | 2025-03-25 00:54:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02205060 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O6S |
|---|
| Molecular Mass | 284.0355 |
|---|
| SMILES | O=S(=O)(O)Oc1ccc2cc(C(O)CO)ccc2c1 |
|---|
| InChI Key | JDIVQKOMQPGCHP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalenes |
|---|
| Direct Parent | naphthalenes |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | 1,2-diolsaromatic alcoholsarylsulfateshydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | aromatic alcoholalcoholsulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homopolycyclic compoundorganic oxidenaphthaleneorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterprimary alcoholorganooxygen compound1,2-diol |
|---|
