| Name |
Conyzasaponin K
(-)-Conyzasaponin K |
| Formula |
C68H110O35 |
| Mw |
1486.68276529 |
| CAS RN |
653593-34-1 |
| C_ID |
C00044641
, 
|
| InChIKey |
LMNFREAUHJKLRM-ROQSEGTFNA-N |
| InChICode |
InChI=1S/C68H110O35/c1-25-37(77)41(81)43(83)56(94-25)98-48-32(75)21-91-55(44(48)84)97-47-26(2)95-57(46(86)50(47)100-60-52(87)67(89,23-71)24-93-60)101-51-39(79)31(74)20-92-59(51)103-61(88)68-14-13-62(3,4)15-28(68)27-9-10-35-63(5)16-29(72)53(64(6,22-70)34(63)11-12-65(35,7)66(27,8)17-36(68)76)102-58-45(85)49(40(80)33(18-69)96-58)99-54-42(82)38(78)30(73)19-90-54/h9,25-26,28-60,69-87,89H,10-24H2,1-8H3/t25-,26-,28-,29-,30+,31+,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+,51+,52-,53-,54-,55-,56-,57-,58-,59+,60-,63-,64-,65+,66+,67+,68+/m0/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](OC1)O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H](O)C[C@]2([C@H]([C@]1(C)CO)CC[C@@]1([C@@H]2CC=C2[C@]1(C[C@H]([C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@H]1OC[C@H]([C@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O[C@H]1[C@@H]([C@@](CO1)(O)CO)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)C)O)O)O)C)C)C)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Conyza blinii | Ref. |
|
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