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CHEBI:190883 - 6-(4-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-{2,6-dihydroxy-4-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl}-3-methylcyclohex-3-en-1-yl}-3-hydroxyphenoxy)-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(OC3OC(C(=O)O)C(O)C(O)C3O)cc2O)c1O |
| InChI | InChI=1S/C45H46O16/c1-19(2)4-8-25-29(46)11-10-26(38(25)53)39(54)36-27(24-9-7-23(17-31(24)48)60-45-42(57)40(55)41(56)43(61-45)44(58)59)12-20(3)13-28(36)37-34(51)14-21(15-35(37)52)5-6-22-16-32(49)33(50)18-30(22)47/h4-7,9-11,13-18,27-28,36,40-43,45-53,55-57H,8,12H2,1-3H3,(H,58,59)/b6-5+ |
| InChIKey | IVHKEHGDCKWZOA-AATRIKPKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Oryza sativa (ncbitaxon:4530) | root (BTO:0001188) | MetaboLights (MTBLS4362) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-(4-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-{2,6-dihydroxy-4-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl}-3-methylcyclohex-3-en-1-yl}-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190883) is a glycoside (CHEBI:24400) |
| 6-(4-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-{2,6-dihydroxy-4-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl}-3-methylcyclohex-3-en-1-yl}-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190883) is a stilbenoid (CHEBI:26776) |
| IUPAC Name |
|---|
| 6-[4-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-[2,6-dihydroxy-4-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl]-3-methylcyclohex-3-en-1-yl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0126356 | HMDB |