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CHEBI:145772 - curcumin 4'-O-β-D-gentiotrioside
| Formula | C39H50O21 |
| Net Charge | 0 |
| Average Mass | 854.808 |
| Monoisotopic Mass | 854.28446 |
| SMILES | COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O |
| InChI | InChI=1S/C39H50O21/c1-53-23-11-17(5-9-21(23)43)3-7-19(41)13-20(42)8-4-18-6-10-22(24(12-18)54-2)57-39-36(52)33(49)30(46)27(60-39)16-56-38-35(51)32(48)29(45)26(59-38)15-55-37-34(50)31(47)28(44)25(14-40)58-37/h3-12,25-40,43-52H,13-16H2,1-2H3/b7-3+,8-4+/t25-,26-,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38-,39-/m1/s1 |
| InChIKey | NRHNDSUHHPFVQG-LJIYMGBBSA-N |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| curcumin 4'-O-β-D-gentiotrioside (CHEBI:145772) has functional parent curcumin (CHEBI:3962) |
| curcumin 4'-O-β-D-gentiotrioside (CHEBI:145772) has role plant metabolite (CHEBI:76924) |
| curcumin 4'-O-β-D-gentiotrioside (CHEBI:145772) is a aromatic ether (CHEBI:35618) |
| curcumin 4'-O-β-D-gentiotrioside (CHEBI:145772) is a enol (CHEBI:33823) |
| curcumin 4'-O-β-D-gentiotrioside (CHEBI:145772) is a enone (CHEBI:51689) |
| curcumin 4'-O-β-D-gentiotrioside (CHEBI:145772) is a glycoside (CHEBI:24400) |
| curcumin 4'-O-β-D-gentiotrioside (CHEBI:145772) is a trisaccharide derivative (CHEBI:63571) |
| IUPAC Name |
|---|
| 4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenyl β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside |
| Manual Xrefs | Databases |
|---|---|
| CPD-14835 | MetaCyc |
| Citations |
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