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CHEBI:89614 - Sinapinic acid-O-glucuronide isomer
| Formula | C17H20O11 |
| Net Charge | 0 |
| Average Mass | 400.336 |
| Monoisotopic Mass | 400.10056 |
| SMILES | COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O |
| InChI | InChI=1S/C17H20O11/c1-25-8-5-7(6-9(26-2)11(8)19)3-4-10(18)27-17-14(22)12(20)13(21)15(28-17)16(23)24/h3-6,12-15,17,19-22H,1-2H3,(H,23,24)/b4-3+/t12-,13-,14+,15-,17+/m0/s1 |
| InChIKey | YAIVMBWMHPRYKU-VKAIBYOUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (22827565) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sinapinic acid-O-glucuronide isomer (CHEBI:89614) is a glucosiduronic acid (CHEBI:24302) |
| Synonym | Source |
|---|---|
| (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0060019 | HMDB |
| Citations |
|---|