| Name |
Quinoasaponin 3
(+)-Quinoasaponin 3 |
| Formula |
C42H66O15 |
| Mw |
810.44017144 |
| CAS RN |
116128-45-1 |
| C_ID |
C00034188
, 
|
| InChIKey |
FAIBCUGVQRXPOI-ZOCLKSNRNA-N |
| InChICode |
InChI=1S/C42H66O15/c1-37(35(51)53-6)13-15-42(36(52)57-34-32(50)30(48)29(47)24(18-43)55-34)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(56-33-31(49)28(46)23(45)19-54-33)39(3,20-44)25(38)9-12-41(26,40)5/h7,22-34,43-50H,8-20H2,1-6H3/t22-,23-,24+,25+,26+,27-,28-,29-,30-,31+,32+,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1 |
| SMILES |
C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@](C1)(C)C(=O)OC)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)CO)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Chenopodiaceae | Chenopodium quinoa Wild.  | Ref. |
|
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