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CHEBI:88701 - 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-sulphate
| Formula | C11H12O8S |
| Net Charge | 0 |
| Average Mass | 304.276 |
| Monoisotopic Mass | 304.02529 |
| SMILES | O=C1CCC(Cc2cc(O)c(O)c(OS(=O)(=O)O)c2)O1 |
| InChI | InChI=1S/C11H12O8S/c12-8-4-6(3-7-1-2-10(13)18-7)5-9(11(8)14)19-20(15,16)17/h4-5,7,12,14H,1-3H2,(H,15,16,17) |
| InChIKey | OMISYDASOKPVDK-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (22827565) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-sulphate (CHEBI:88701) is a isoflavones (CHEBI:38757) |
| Synonym | Source |
|---|---|
| {2,3-dihydroxy-5-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0059985 | HMDB |
| Citations |
|---|