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CHEBI:89551 - 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-O-methyl-O-sulphate
| Formula | C12H14O9S |
| Net Charge | 0 |
| Average Mass | 334.302 |
| Monoisotopic Mass | 334.03585 |
| SMILES | O=C1CCC(Cc2cc(O)c(O)c(OCOS(=O)(=O)O)c2)O1 |
| InChI | InChI=1S/C12H14O9S/c13-9-4-7(3-8-1-2-11(14)21-8)5-10(12(9)15)19-6-20-22(16,17)18/h4-5,8,13,15H,1-3,6H2,(H,16,17,18) |
| InChIKey | KDFRMSXAKYPTNJ-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-O-methyl-O-sulphate (CHEBI:89551) is a isoflavones (CHEBI:38757) |
| Synonym | Source |
|---|---|
| {2,3-dihydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxymethoxy}sulfonic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0060029 | HMDB |
| Citations |
|---|