| Name |
Dmetelin C |
| Formula |
C40H58O15 |
| Mw |
778.37757118 |
| CAS RN |
1802562-75-9 |
| C_ID |
C00064046
|
| InChIKey |
BPJUVUJVWZYBTE-GSQZTXNFSA-N |
| InChICode |
InChI=1S/C40H58O15/c1-17-12-25(18(2)21-8-9-22-29-23(10-11-39(21,22)3)40(4)19(13-24(29)42)6-5-7-28(40)43)53-36(50)20(17)15-51-37-35(49)33(47)31(45)27(55-37)16-52-38-34(48)32(46)30(44)26(14-41)54-38/h5,7,13,18,21-27,29-35,37-38,41-42,44-49H,6,8-12,14-16H2,1-4H3/t18-,21+,22-,23-,24+,25+,26+,27+,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1 |
| SMILES |
CC1=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4C(O)C=C5CC=CC(=O)C5(C)C4CCC23C)C1 |
| 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. |
|---|
|
