| Name |
Monardaein |
| Formula |
C42H41O23 |
| Mw |
913.20386262 |
| CAS RN |
144606-89-3 |
| C_ID |
C00006777
, 
|
| InChIKey |
HOQNHEQPPFYHLF-YCKVDOBINA-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/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1 |
| SMILES |
O=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)C(O)C4O)cc23)C(O)[C@@H](O)[C@@H]1OC(=O)CC(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Hyacinthaceae | Hyacinthus orientalis | Ref. |
| Plantae | Labiatae | Agastache aurantiaca | Ref. |
| Plantae | Labiatae | Monarda didyma  | Ref. |
| Plantae | Labiatae | Salvia coccinea | Ref. |
| Plantae | Labiatae | Salvia splendens | Ref. |
| Plantae | Labiatae | Salvia spp. | Ref. |
| Plantae | Polemoniaceae | Gilia coronopifolia | Ref. |
|
|
zoom in
| Organism | Salvia splendens |
|---|
| Reference | Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter32 |
|---|
|
