| Name |
Verbesinoside E
(+)-Verbesinoside E |
| Formula |
C56H80O19 |
| Mw |
1056.52938038 |
| CAS RN |
1162659-66-6 |
| C_ID |
C00047612
, 
|
| InChIKey |
UZNVWFAXBDIGPG-HQJUQXCBNA-N |
| InChICode |
InChI=1S/C56H80O19/c1-51(2)22-31-30-13-14-36-53(5)18-17-37(74-49-46(43(63)41(61)33(24-57)71-49)75-48-45(65)42(62)34(26-70-48)72-47-44(64)40(60)32(58)25-69-47)52(3,4)35(53)16-19-54(36,6)56(30)21-28(56)20-55(31,50(66)67)23-38(51)73-39(59)15-10-27-8-11-29(68-7)12-9-27/h8-13,15,28,31-38,40-49,57-58,60-65H,14,16-26H2,1-7H3,(H,66,67)/b15-10+/t28?,31-,32+,33+,34+,35-,36+,37-,38-,40-,41+,42-,43-,44+,45+,46+,47-,48-,49-,53-,54+,55+,56+/m0/s1 |
| SMILES |
COc1ccc(/C=C/C(=O)O[C@H]2C[C@]3(C(=O)O)C[C@@H]4C[C@]45C(=CC[C@@H]4[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]45C)[C@@H]3CC2(C)C)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Verbesina virginica | Ref. |
|
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