| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:48 UTC |
|---|
| Update Date | 2025-03-25 00:53:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02200836 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H8O7S |
|---|
| Molecular Mass | 271.9991 |
|---|
| SMILES | COc1ccc(OS(=O)(=O)O)c2ccc(=O)oc12 |
|---|
| InChI Key | FMINBURNPHFZJO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | coumarins and derivatives |
|---|
| Subclass | coumarins and derivatives |
|---|
| Direct Parent | coumarins and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyransalkyl aryl ethersanisolesarylsulfatesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivativessulfuric acid monoesters |
|---|
| Substituents | phenol ethersulfuric acid monoesterether1-benzopyranalkyl aryl etherlactoneorganic oxidearomatic heteropolycyclic compoundpyranonearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivativesheteroaromatic compoundcoumarinoxacycleorganic oxygen compoundpyrananisolesulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
|---|
