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CHEBI:88681 - 4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-methyl-O-sulphate
| Formula | C12H16O9S |
| Net Charge | 0 |
| Average Mass | 336.318 |
| Monoisotopic Mass | 336.05150 |
| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OCOS(=O)(=O)O |
| InChI | InChI=1S/C12H16O9S/c13-9(5-8-1-3-10(14)11(15)6-8)2-4-12(16)20-7-21-22(17,18)19/h1,3,6,9,13-15H,2,4-5,7H2,(H,17,18,19) |
| InChIKey | YDBDCESYCNBVOY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (22827565) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-methyl-O-sulphate (CHEBI:88681) is a isoflavones (CHEBI:38757) |
| Synonym | Source |
|---|---|
| ({[5-(3,4-dihydroxyphenyl)-4-hydroxypentanoyl]oxy}methoxy)sulfonic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0059977 | HMDB |
| Citations |
|---|