| Name |
Ageratoside C1
(-)-Ageratoside C1 |
| Formula |
C41H62O15 |
| Mw |
794.40887131 |
| CAS RN |
233761-50-7 |
| C_ID |
C00038384
, 
|
| InChIKey |
VNVQGMPVWXBPFO-LNJFIHKFNA-N |
| InChICode |
InChI=1S/C41H62O16/c1-36(2)11-18-17-7-8-22-37(3)12-19(43)31(57-33-29(49)27(47)30(21(15-42)54-33)56-32-28(48)26(46)20(44)16-53-32)40(6,34(50)51)23(37)9-10-38(22,4)39(17,5)13-24(45)41(18)14-25(36)55-35(41)52/h7,18-33,42-49H,8-16H2,1-6H3,(H,50,51)/t18-,19-,20+,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31-,32-,33-,37+,38+,39+,40-,41+/m0/s1 |
| SMILES |
CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]23C[C@@H]1OC3=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Aster ageratoides Turez var. ovatus Nakai  | Ref. |
|
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