| Name |
Quinoasaponin 4 |
| Formula |
C48H76O20 |
| Mw |
972.49299487 |
| CAS RN |
191480-32-7 |
| C_ID |
C00034189
, 
|
| InChIKey |
YQVWYGGSCXHJPA-AIHANIQUNA-N |
| InChICode |
InChI=1S/C48H76O20/c1-43(41(60)62-6)13-15-48(42(61)68-39-35(58)33(56)31(54)25(18-49)64-39)16-14-46(4)22(23(48)17-43)7-8-28-44(2)11-10-29(45(3,21-51)27(44)9-12-47(28,46)5)66-40-36(59)37(32(55)26(19-50)65-40)67-38-34(57)30(53)24(52)20-63-38/h7,23-40,49-59H,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+,48-/m0/s1 |
| SMILES |
[C@]1(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(=O)OC)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Chenopodiaceae | Chenopodium quinoa Wild.  | Ref. |
|
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