| Name |
Conyzasaponin M
(-)-Conyzasaponin M |
| Formula |
C67H108O34 |
| Mw |
1456.6722006 |
| CAS RN |
653593-36-3 |
| C_ID |
C00044643
, 
|
| InChIKey |
BJWZGJQGBFBNJB-APTORBBINA-N |
| InChICode |
InChI=1S/C67H108O34/c1-27-44(95-53-41(80)45(33(75)21-89-53)96-57-49(83)66(86,23-70)25-91-57)47(98-58-50(84)67(87,24-71)26-92-58)43(82)54(93-27)99-48-38(77)32(74)20-90-56(48)101-59(85)65-14-12-60(2,3)16-29(65)28-8-9-36-61(4)17-30(72)51(62(5,22-69)35(61)10-11-64(36,7)63(28,6)13-15-65)100-55-42(81)46(39(78)34(18-68)94-55)97-52-40(79)37(76)31(73)19-88-52/h8,27,29-58,68-84,86-87H,9-26H2,1-7H3/t27-,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-,61-,62-,63+,64+,65-,66+,67+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2C(OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Conyza blinii | Ref. |
|
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