| Name |
Quinoasaponin 1 |
| Formula |
C47H76O18 |
| Mw |
928.50316563 |
| CAS RN |
191480-31-6 |
| C_ID |
C00034186
, 
|
| InChIKey |
KAHNDBHLDRMFKM-BJPMSWAONA-N |
| InChICode |
InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-39-35(57)33(55)31(53)25(18-48)61-39)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-36(58)37(32(54)26(19-49)62-40)64-38-34(56)30(52)24(51)20-60-38/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37-,38-,39+,40+,43-,44-,45+,46+,47-/m0/s1 |
| SMILES |
C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@@]1(C)CO)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)CO)C)C)C(=O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Chenopodiaceae | Chenopodium quinoa Wild.  | Ref. |
|
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