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CHEBI:185133 - isorhamnetin 3-(6''-(E)-sinapoylsophoroside)
| Formula | C39H42O21 |
| Net Charge | 0 |
| Average Mass | 846.744 |
| Monoisotopic Mass | 846.22186 |
| SMILES | COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](COC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |
| InChI | InChI=1S/C39H42O21/c1-52-20-10-16(5-6-18(20)42)35-36(31(48)27-19(43)11-17(41)12-21(27)56-35)59-39-37(60-38-34(51)32(49)29(46)24(13-40)57-38)33(50)30(47)25(58-39)14-55-26(44)7-4-15-8-22(53-2)28(45)23(9-15)54-3/h4-12,24-25,29-30,32-34,37-43,45-47,49-51H,13-14H2,1-3H3/b7-4+/t24-,25-,29-,30-,32+,33+,34-,37-,38+,39+/m1/s1 |
| InChIKey | DOFVGYIVCBEEQK-BBKQDTKYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isorhamnetin 3-(6''-(E)-sinapoylsophoroside) (CHEBI:185133) is a flavonoid (CHEBI:47916) |
| isorhamnetin 3-(6''-(E)-sinapoylsophoroside) (CHEBI:185133) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-β-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-β-D-glucopyranoside |
| Manual Xrefs | Databases |
|---|---|
| 115270165 | ChemSpider |
| LMPK12112386 | LIPID MAPS |