| Name |
Paeonidanin E
(-)-Paeonidanin E |
| Formula |
C46H54O21 |
| Mw |
942.31575879 |
| CAS RN |
1181222-83-2 |
| C_ID |
C00048041
, 
|
| InChIKey |
FPEQOYMLKLIEMS-BNDQDSSZNA-N |
| InChICode |
InChI=1S/C46H54O21/c1-40-14-24(48)23-13-45(40,63-36-32(53)30(51)28(49)25(16-47)61-36)42(23,19-59-34(55)21-9-5-3-6-10-21)38(65-40)58-17-26-29(50)31(52)33(54)37(62-26)64-46-15-27-43(46,20-60-35(56)22-11-7-4-8-12-22)39-66-41(46,2)18-44(27,57)67-39/h3-12,23,25-33,36-39,47,49-54,57H,13-20H2,1-2H3/t23-,25+,26+,27+,28+,29+,30-,31-,32+,33+,36-,37-,38-,39+,40-,41-,42-,43-,44+,45-,46-/m0/s1 |
| SMILES |
CC12CC(=O)[C@@H]3CC1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3(COC(=O)c1ccccc1)[C@@H](OC[C@H]1O[C@@H](OC34C[C@@H]5[C@@]3(COC(=O)c3ccccc3)[C@H]3O[C@]5(O)C[C@]4(C)O3)[C@H](O)[C@@H](O)[C@@H]1O)O2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Paeoniaceae | Paeonia albiflora  | Ref. |
|
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