| Name |
Ageratoside A2 |
| Formula |
C60H94O30 |
| Mw |
1294.58299167 |
| CAS RN |
233761-43-8 |
| C_ID |
C00038378
, 
|
| InChIKey |
SNLRXOXNOOMLEI-NPFHDCDTNA-N |
| InChICode |
InChI=1S/C60H94O30/c1-23-41(83-24(2)64)43(87-51-45(75)59(79,21-63)22-81-51)40(74)49(82-23)88-44-34(68)28(66)20-80-50(44)90-53(78)60-14-13-54(3,4)15-26(60)25-9-10-31-55(5)16-27(65)46(58(8,52(76)77)32(55)11-12-56(31,6)57(25,7)17-33(60)67)89-48-39(73)37(71)42(30(19-62)85-48)86-47-38(72)36(70)35(69)29(18-61)84-47/h9,23,26-51,61-63,65-75,79H,10-22H2,1-8H3,(H,76,77)/t23-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,55+,56+,57+,58-,59+,60+/m0/s1 |
| SMILES |
CC(=O)O[C@@H]1[C@@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O[C@H]2[C@H](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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@H](O)[C@@H]2O)O[C@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Aster ageratoides Turez var. ovatus Nakai  | Ref. |
|
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