| Name |
Conyzasaponin N
(-)-Conyzasaponin N |
| Formula |
C62H100O30 |
| Mw |
1324.62994186 |
| CAS RN |
653593-37-4 |
| C_ID |
C00044644
, 
|
| InChIKey |
YLANIGSSAUTPOF-KHJPBPITNA-N |
| InChICode |
InChI=1S/C62H100O30/c1-26-41(87-48-39(74)42(31(69)20-81-48)88-52-45(76)61(79,22-65)24-83-52)43(89-53-46(77)62(80,23-66)25-84-53)40(75)50(85-26)90-44-35(70)30(68)19-82-51(44)92-54(78)60-14-12-55(2,3)16-28(60)27-8-9-34-56(4)17-29(67)47(91-49-38(73)37(72)36(71)32(18-63)86-49)57(5,21-64)33(56)10-11-59(34,7)58(27,6)13-15-60/h8,26,28-53,63-77,79-80H,9-25H2,1-7H3/t26-,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-,56-,57-,58+,59+,60-,61+,62+/m0/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)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(CC[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]1OC[C@]([C@H]1O)(O)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)C)O)O)C)C)C)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Conyza blinii | Ref. |
|
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