| Name |
Ageratoside A5
(-)-Ageratoside A5 |
| Formula |
C54H84O25 |
| Mw |
1132.53016824 |
| CAS RN |
233761-47-2 |
| C_ID |
C00038381
, 
|
| InChIKey |
RGRSUZYFWOWEEE-HJKOOGRENA-N |
| InChICode |
InChI=1S/C54H84O25/c1-22-37(74-23(2)57)38(76-45-40(66)53(70,20-56)21-72-45)36(65)43(73-22)77-39-32(61)27(59)19-71-44(39)79-47(69)54-14-13-48(3,4)15-25(54)24-9-10-29-49(5)16-26(58)41(78-42-35(64)34(63)33(62)28(18-55)75-42)52(8,46(67)68)30(49)11-12-50(29,6)51(24,7)17-31(54)60/h9,22,25-45,55-56,58-66,70H,10-21H2,1-8H3,(H,67,68)/t22-,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41-,42-,43-,44+,45-,49+,50+,51+,52-,53+,54+/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](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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