| Name |
3,3'-Digalloylprocyanidin B2
3-O-Galloylepicatechin-(4beta->8)-epicatechin-3-O-gallate |
| Formula |
C44H34O20 |
| Mw |
882.16434353 |
| CAS RN |
79907-44-1 |
| C_ID |
C00009213
, 
|
| InChIKey |
KTLUHRSHFRODPS-CHSIXOLZNA-N |
| InChICode |
InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36-,39-,40-,42-/m1/s1 |
| SMILES |
O=C(O[C@@H]1[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C3)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygonaceae | Polygonum multiflorum  | Ref. |
| Plantae | Polygonaceae | Rheum rhizome | Ref. |
| Plantae | Polygonaceae | Rheum sp. | Ref. |
| Plantae | Theaceae | Camellia sinensis | Ref. |
| Plantae | Theaceae | Thea sinensis | Ref. |
| Plantae | Vitaceae | Vitis vinifera | Ref. |
|
|
zoom in
|
