| Name |
Ilexoside LI |
| Formula |
C48H76O20 |
| Mw |
972.49299487 |
| CAS RN |
148031-75-8 |
| C_ID |
C00039403
, 
|
| InChIKey |
YWRJCOBEOLLKHX-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C48H76O20/c1-43(2)14-16-48(42(62)68-40-34(58)30(54)28(52)22(19-50)64-40)17-15-46(6)20(26(48)37(43)59)8-9-24-45(5)12-11-25(44(3,4)23(45)10-13-47(24,46)7)65-41-36(32(56)31(55)35(66-41)38(60)61)67-39-33(57)29(53)27(51)21(18-49)63-39/h8,21-37,39-41,49-59H,9-19H2,1-7H3,(H,60,61)/t21-,22-,23+,24-,25-,26+,27+,28+,29+,30+,31-,32+,33-,34-,35-,36+,37-,39+,40+,41-,45+,46-,47-,48-/m1/s1 |
| SMILES |
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex rotunda  | Ref. |
|
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