| Name |
Paeonidanin D
(-)-Paeonidanin D |
| Formula |
C47H56O21 |
| Mw |
956.33140885 |
| CAS RN |
1181222-82-1 |
| C_ID |
C00048040
, 
|
| InChIKey |
QDMFASNVGVOIEZ-TYCRDVAMNA-N |
| InChICode |
InChI=1S/C47H56O21/c1-42-16-26(49)24-14-46(42,44(24,40(59-3)67-42)20-61-36(57)22-10-6-4-7-11-22)66-39-35(56)33(54)31(52)29(64-39)19-60-41-45(21-62-37(58)23-12-8-5-9-13-23)25-15-47(45,43(2,68-41)17-27(25)50)65-38-34(55)32(53)30(51)28(18-48)63-38/h4-13,24-25,28-35,38-41,48,51-56H,14-21H2,1-3H3/t24-,25?,28+,29+,30-,31-,32-,33-,34+,35+,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+/m0/s1 |
| SMILES |
CO[C@H]1OC2(C)CC(=O)[C@@H]3CC2(O[C@@H]2O[C@H](CO[C@H]4OC5(C)CC(=O)[C@@H]6CC5(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C46COC(=O)c4ccccc4)[C@@H](O)[C@H](O)[C@H]2O)C13COC(=O)c1ccccc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Paeoniaceae | Paeonia albiflora  | Ref. |
|
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