| Name |
Quinoasaponin 8 |
| Formula |
C54H86O25 |
| Mw |
1134.5458183 |
| CAS RN |
128887-87-6 |
| C_ID |
C00034191
, 
|
| InChIKey |
ODDHORHEPJPDSC-ZCYDAMMNNA-N |
| InChICode |
InChI=1S/C54H86O25/c1-23(59)79-49(2)13-15-54(48(70)78-46-40(68)37(65)34(62)28(19-56)73-46)16-14-52(5)24(25(54)17-49)7-8-31-50(3)11-10-32(51(4,22-58)30(50)9-12-53(31,52)6)75-44-41(69)42(26(60)21-71-44)76-47-43(38(66)35(63)29(20-57)74-47)77-45-39(67)36(64)33(61)27(18-55)72-45/h7,25-47,55-58,60-69H,8-22H2,1-6H3/t25-,26+,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+,45-,46+,47-,49-,50+,51-,52+,53+,54-/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]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)O)C)C)C(=O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(OC(=O)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Chenopodiaceae | Chenopodium quinoa Wild.  | Ref. |
|
|
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