| Name |
Ageratoside A1 |
| Formula |
C59H92O29 |
| Mw |
1264.57242698 |
| CAS RN |
233761-42-7 |
| C_ID |
C00038377
, 
|
| InChIKey |
GWTPUBSURQRZBM-KAXSOIRGNA-N |
| InChICode |
InChI=1S/C59H92O29/c1-23-40(82-24(2)62)42(85-50-44(73)58(77,21-61)22-80-50)39(72)48(81-23)86-43-35(68)29(65)20-79-49(43)88-52(76)59-14-13-53(3,4)15-26(59)25-9-10-31-54(5)16-27(63)45(57(8,51(74)75)32(54)11-12-55(31,6)56(25,7)17-33(59)66)87-47-38(71)36(69)41(30(18-60)83-47)84-46-37(70)34(67)28(64)19-78-46/h9,23,26-50,60-61,63-73,77H,10-22H2,1-8H3,(H,74,75)/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-,54+,55+,56+,57-,58+,59+/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]8OC[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. |
|
|
zoom in
| Organism | Aster ageratoides Turez var. ovatus Nakai |
|---|
| Reference | Sakai,Phytochem.,51,(1999),309 |
|---|
|
