| Name |
Aquilegioside I |
| Formula |
C47H74O18 |
| Mw |
926.48751556 |
| CAS RN |
672940-74-8 |
| C_ID |
C00029713
, 
|
| InChIKey |
BSBVDCLGNDFFHE-RIFNQTNRNA-N |
| InChICode |
InChI=1S/C47H74O18/c1-20-7-8-24(61-39(20)58)21(2)30-22(49)15-45(6)28-10-9-27-43(3,4)29(11-12-46(27)19-47(28,46)14-13-44(30,45)5)64-42-38(31(51)23(50)17-59-42)65-41-37(57)35(55)33(53)26(63-41)18-60-40-36(56)34(54)32(52)25(16-48)62-40/h7,21-38,40-42,48-57H,8-19H2,1-6H3/t21-,22-,23+,24+,25-,26-,27+,28+,29+,30+,31+,32-,33-,34+,35+,36-,37-,38-,40-,41+,42+,44-,45+,46-,47+/m1/s1 |
| SMILES |
CC1=CC[C@@H]([C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aquilegia vulgaris L  | Ref. |
|
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