| Name |
2-Coumaroyl-1,6-digalloylglucose |
| Formula |
C29H26O16 |
| Mw |
630.12208479 |
| CAS RN |
115713-49-0 |
| C_ID |
C00054538
|
| InChIKey |
NWXQDDDDBQYZGE-VTULTLKESA-N |
| InChICode |
InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)44-26-25(39)24(38)20(11-42-27(40)13-7-16(31)22(36)17(32)8-13)43-29(26)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3+/t20-,24-,25+,26-,29+/m1/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygonaceae | Rheum sp. | Ref. |
|
|
zoom in
| Organism | Rheum sp. |
|---|
| Reference | Haddock, E.A. et al., JCS Perkin 1, 1982, 2515 (struct, pmr) |
|---|
|
