| Name |
Parillin |
| Formula |
C51H84O22 |
| Mw |
1048.54542437 |
| CAS RN |
19057-61-5 |
| C_ID |
C00003584
, 
|
| InChIKey |
DLUTTXMPJCVUFR-GLPKOEFINA-N |
| InChICode |
InChI=1S/C51H84O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-47-41(62)38(59)35(56)30(17-53)69-47)42(63)43(71-46-40(61)36(57)33(54)22(3)66-46)31(70-48)19-64-45-39(60)37(58)34(55)29(16-52)68-45/h20-48,52-63H,6-19H2,1-5H3/t20-,21-,22-,23+,24-,25+,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41+,42-,43-,44+,45+,46-,47-,48-,49-,50-,51+/m0/s1 |
| SMILES |
CC1O[C@@H](O[C@@H]2C(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)O[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H]6[C@H](C[C@@H]54)O[C@]4(CC[C@H](C)CO4)[C@H]6C)C3)C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@H]2O)C(O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Smilacaceae | Smilax aristolochaefolia | Ref. |
| Plantae | Smilacaceae | Smilax aristolochiaefolia  | Ref. |
| - | - | Radix sarsaparillae | Ref. |
|
|
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