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CHEBI:1905 - 4-methylumbelliferone sulfate
| Formula | C10H8O6S |
| Net Charge | 0 |
| Average Mass | 256.235 |
| Monoisotopic Mass | 256.00416 |
| SMILES | Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12 |
| InChI | InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14) |
| InChIKey | FUYLLJCBCKRIAL-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-methylumbelliferone sulfate (CHEBI:1905) has functional parent 4-methylumbelliferone (CHEBI:17224) |
| 4-methylumbelliferone sulfate (CHEBI:1905) has functional parent umbelliferone sulfate (CHEBI:133565) |
| 4-methylumbelliferone sulfate (CHEBI:1905) has role human xenobiotic metabolite (CHEBI:76967) |
| 4-methylumbelliferone sulfate (CHEBI:1905) is a aryl sulfate (CHEBI:37919) |
| 4-methylumbelliferone sulfate (CHEBI:1905) is a coumarins (CHEBI:23403) |
| 4-methylumbelliferone sulfate (CHEBI:1905) is conjugate acid of 4-methylumbelliferone sulfate(1−) (CHEBI:144581) |
| Incoming Relation(s) |
| 4-methylumbelliferone sulfate(1−) (CHEBI:144581) is conjugate base of 4-methylumbelliferone sulfate (CHEBI:1905) |
| IUPAC Name |
|---|
| 4-methyl-2-oxo-2H-chromen-7-yl hydrogen sulfate |
| Synonyms | Source |
|---|---|
| 4-methylumbelliferone sulfate | KEGG COMPOUND |
| 4-methylumbelliferyl sulfate | KEGG COMPOUND |
| 4-methyl-2-oxo-2H-1-benzopyran-7-yl hydrogen sulfate | IUPAC |
| (4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate | PDBeChem |
| (4-methyl-2-oxochromen-7-yl) hydrogen sulfate | ChEBI |
| 4-methyl-7-(sulfooxy)-2H-1-benzopyran-2-one | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| CAS:25892-63-1 | KEGG COMPOUND |
| CAS:25892-63-1 | ChemIDplus |
| Citations |
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