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CHEBI:186019 - 6-[6-(2-{2,6-dihydroxy-4-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyl)-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Formula | C45H46O16 |
| Net Charge | 0 |
| Average Mass | 842.847 |
| Monoisotopic Mass | 842.27859 |
| SMILES | CC(C)=CCc1c(O)ccc(C(=O)C2C(c3c(O)cc(/C=C/c4cc(O)c(O)cc4O)cc3O)C=C(C)CC2c2ccc(O)cc2O)c1OC1OC(C(=O)O)C(O)C(O)C1O |
| InChI | InChI=1S/C45H46O16/c1-19(2)4-8-25-29(47)11-10-26(42(25)60-45-41(57)39(55)40(56)43(61-45)44(58)59)38(54)36-27(24-9-7-23(46)17-31(24)49)12-20(3)13-28(36)37-34(52)14-21(15-35(37)53)5-6-22-16-32(50)33(51)18-30(22)48/h4-7,9-11,13-18,27-28,36,39-41,43,45-53,55-57H,8,12H2,1-3H3,(H,58,59)/b6-5+ |
| InChIKey | CUHWLROPBRPTOG-AATRIKPKSA-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) |
| 6-[6-(2-{2,6-dihydroxy-4-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyl)-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:186019) is a glycoside (CHEBI:24400) |
| 6-[6-(2-{2,6-dihydroxy-4-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyl)-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:186019) is a stilbenoid (CHEBI:26776) |
| IUPAC Name |
|---|
| 6-[6-[6-(2,4-dihydroxyphenyl)-2-[2,6-dihydroxy-4-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl]-4-methylcyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0126355 | HMDB |