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CHEBI:88659 - 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide
| Formula | C17H20O10 |
| Net Charge | 0 |
| Average Mass | 384.337 |
| Monoisotopic Mass | 384.10565 |
| SMILES | O=C1CCC(Cc2cc(O)cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)O1 |
| WURCS | WURCS=2.0/1,1,0/[a2122A-1b_1-5_1*O(CCCCCC$3/7)O(/5)CC^XCCCO$11/14=O]/1/ |
| InChI | InChI=1S/C17H20O10/c18-8-3-7(4-9-1-2-11(19)25-9)5-10(6-8)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h3,5-6,9,12-15,17-18,20-22H,1-2,4H2,(H,23,24)/t9?,12-,13-,14+,15-,17+/m0/s1 |
| InChIKey | RUSMDDXSDLDLKU-PHPHFFAHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (22827565) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide (CHEBI:88659) is a disaccharide (CHEBI:36233) |
| Synonym | Source |
|---|---|
| (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{3-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0041693 | HMDB |
| Citations |
|---|