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 |
OC1=C(O)C(O)=CC(C(OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](OC(/C=C/C3=CC=C(O)C=C3)=O)[C@H](OC(C4=CC(O)=C(O)C(O)=C4)=O)O2)=O)=C1 |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Polygonaceae | Rheum sp. | Ref. |
|
|
zoom in
|