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CHEBI:190751 - 6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-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 | C45H46O15 |
| Net Charge | 0 |
| Average Mass | 826.848 |
| Monoisotopic Mass | 826.28367 |
| SMILES | CC(C)=CCc1c(O)ccc(C(=O)C2C(c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O)C=C(C)CC2c2ccc(O)cc2O)c1OC1OC(C(=O)O)C(O)C(O)C1O |
| InChI | InChI=1S/C45H46O15/c1-20(2)4-10-27-31(48)13-12-28(42(27)59-45-41(56)39(54)40(55)43(60-45)44(57)58)38(53)36-29(26-11-9-25(47)19-33(26)50)14-21(3)15-30(36)37-34(51)16-22(17-35(37)52)5-6-23-7-8-24(46)18-32(23)49/h4-9,11-13,15-19,29-30,36,39-41,43,45-52,54-56H,10,14H2,1-3H3,(H,57,58)/b6-5+ |
| InChIKey | HGMSXJWQLNMCJR-AATRIKPKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Oryza sativa (ncbitaxon:4530) | root (BTO:0001188) | MetaboLights (MTBLS4362) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-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:190751) is a glycoside (CHEBI:24400) |
| 6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-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:190751) is a stilbenoid (CHEBI:26776) |
| IUPAC Name |
|---|
| 6-[6-[6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0126263 | HMDB |