| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:44 UTC |
|---|
| Update Date | 2025-03-25 00:59:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02234998 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H12O5S |
|---|
| Molecular Mass | 292.0405 |
|---|
| SMILES | O=S(=O)(O)Oc1cc2c(cc1O)-c1ccccc1CC2 |
|---|
| InChI Key | LLDCBKTZNRQTTL-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 benzenoidsarylsulfateshydrocarbon derivativesnaphthols and derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoesterphenanthreneorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundorganic oxidenaphthaleneorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid ester2-naphtholorganooxygen compound |
|---|
