| Name |
Meteloside B |
| Formula |
C52H83NO21 |
| Mw |
1057.54575872 |
| CAS RN |
2097624-77-4 |
| C_ID |
C00064157
|
| InChIKey |
XZCBPLHYSYXGMA-FUWSRULQSA-N |
| InChICode |
InChI=1S/C52H83NO21/c1-20-10-15-52(74-45(20)53-24(5)55)21(2)33-31(73-52)17-29-27-9-8-25-16-26(11-13-50(25,6)28(27)12-14-51(29,33)7)68-49-44(72-47-40(63)37(60)34(57)22(3)66-47)41(64)42(32(18-54)69-49)70-48-43(38(61)35(58)23(4)67-48)71-46-39(62)36(59)30(56)19-65-46/h8,20-23,26-49,54,56-64H,9-19H2,1-7H3,(H,53,55)/t20-,21+,22+,23+,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+,51+,52+/m1/s1 |
| SMILES |
CC(=O)NC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Datura metel  | Ref. |
|
|
zoom in
| Organism | Datura metel |
|---|
| Reference | Singh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA. |
|---|
|
