| Name |
Monardein |
| Formula |
C42H41O23+ |
| Mw |
913.20386262 |
| CAS RN |
73545-87-6 |
| C_ID |
C00057524
|
| InChIKey |
HOQNHEQPPFYHLF-UHFFFAOYSA-O |
| InChICode |
InChI=1S/C42H40O23/c43-20-6-1-18(2-7-20)3-10-31(50)58-16-27-34(53)35(54)37(56)41(63-27)62-26-13-23-24(60-39(26)19-4-8-21(44)9-5-19)11-22(45)12-25(23)61-42-38(57)36(55)40(65-33(52)15-30(48)49)28(64-42)17-59-32(51)14-29(46)47/h1-13,27-28,34-38,40-42,53-57H,14-17H2,(H4-,43,44,45,46,47,48,49,50)/p+1 |
| SMILES |
OC1=CC=C(/C=C/C(OCC(O2)C(O)C(O)C(O)C2OC(C(C3=CC=C(O)C=C3)=[O+]4)=CC5=C4C=C(O)C=C5OC6C(O)C(O)C(OC(CC(O)=O)=O)C(O6)COC(CC(O)=O)=O)=O)C=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Monarda didyma  | Ref. |
|
|
zoom in
| Organism | Monarda didyma |
|---|
| Reference | Karrer, P. et al., Helv. Chim. Acta, 1927, 10, 67
1928, 12, 292 (isol, Monardein) |
|---|
|
