| Name |
3-O-beta-D-Galactopyranosyl-ent-epicatechin-(2alpha->7,4alpha->8)-epicatechin |
| Formula |
C36H34O17 |
| Mw |
738.17959966 |
| CAS RN |
135048-84-9 |
| C_ID |
C00009314
, 
|
| InChIKey |
JUIIUJBWZYKSEP-VEBNFZDLNA-N |
| InChICode |
InChI=1S/C36H34O17/c37-11-25-29(46)30(47)31(48)35(49-25)51-34-28-26-21(44)7-14(38)8-23(26)52-36(34,13-2-4-17(40)20(43)6-13)53-24-10-18(41)15-9-22(45)32(50-33(15)27(24)28)12-1-3-16(39)19(42)5-12/h1-8,10,22,25,28-32,34-35,37-48H,9,11H2/t22-,25+,28-,29-,30-,31+,32-,34-,35-,36+/m0/s1 |
| SMILES |
OCC1O[C@@H](O[C@H]2[C@H]3c4c(O)cc(O)cc4O[C@]2(c2ccc(O)c(O)c2)Oc2cc(O)c4c(c23)O[C@H](c2ccc(O)c(O)c2)[C@H](O)C4)C(O)C(O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Malvaceae | Theobroma cacao  | Ref. |
|
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