| C00004338 - Theobroma cacao L. | |
| C_ID | C00004338 |
| CAS RN | 19993-32-9 |
| Metabolite | Chrysoeriol 7-O-beta-D-glucopyranoside;Chrysoeriol 7-glucoside;Luteolin 3'-methyl ether-7-glucoside;5,7,4'-Trihydroxy-3'-methoxyflavone 7-beta-D-glucopyranoside;Luteolin 3'-methyl ether 7-glucoside |
| Molecular Formula | C22H22O11 |
| Organism | Theobroma cacao L. |
| Kingdom | Plantae |
| Family | Malvaceae |
| Genus | Theobroma |
| SMILES | c1(cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)OC)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O |
| InChI | InChI=1S/C22H22O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19+,20-,21+,22+/m0/s1 |
| InChIKey | GAMYVSCDDLXAQW-OXFOAJKANA-N |
| Reference | Biltz,Justus Liebigs Ann.Chem.,(1921),423;Jalal,Phytochem.,16,(1977),1377 |
| Structural formula |  |