EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C9H12O7S |
| Net Charge | 0 |
| Average Mass | 264.255 |
| Monoisotopic Mass | 264.03037 |
| SMILES | COc1cc(C(CO)OS(=O)(=O)O)ccc1O |
| InChI | InChI=1S/C9H12O7S/c1-15-8-4-6(2-3-7(8)11)9(5-10)16-17(12,13)14/h2-4,9-11H,5H2,1H3,(H,12,13,14) |
| InChIKey | SBKADJXSGGTEPN-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| cerebrospinal fluid (UBERON:0001359) | PubMed (3773351) | ||
| urine (BTO:0001419) | PubMed (6403958) | ||
| blood (UBERON:0000178) | Article (Geigy Scientific Tables, 8th Rev edition, pp. 165-177. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Methoxy-4-Hydroxyphenylglycol sulfate (CHEBI:89644) is a alcohol (CHEBI:30879) |
| 3-Methoxy-4-Hydroxyphenylglycol sulfate (CHEBI:89644) is a phenols (CHEBI:33853) |
| Synonyms | Source |
|---|---|
| [2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)ethoxy]sulfonic acid | HMDB |
| (3-Methoxy-4-sulfonyloxyphenyl)glycol | HMDB |
| MHPG-sulfate | HMDB |
| 3-Methoxy-4-Hydroxyphenylglycol Sulfate | HMDB |
| MHPG-sulphate | HMDB |
| 4-Hydroxy-3-methoxyphenylglycol sulphate | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0003332 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:71324-20-4 | KEGG COMPOUND |
| Citations |
|---|