| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:33 UTC |
|---|
| Update Date | 2025-03-25 00:46:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157012 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H14O8S |
|---|
| Molecular Mass | 366.0409 |
|---|
| SMILES | O=C1c2c(O)cc(O)cc2CC(OS(=O)(=O)O)C1c1cccc(O)c1 |
|---|
| InChI Key | GJBPJDPWTFKDED-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | phenylnaphthalenes |
|---|
| Direct Parent | phenylnaphthalenes |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesaryl alkyl ketonesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesterstetralinsvinylogous acids |
|---|
| Substituents | tetralinmonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidketonevinylogous acidorganic oxideorganic oxygen compoundphenylnaphthalenealkyl sulfatesulfate-esterphenolhydrocarbon derivativesulfuric acid esterorganooxygen compoundaryl ketone |
|---|
