| Name |
cis-Shisonin |
| Formula |
C36H37O18.Cl |
| Mw |
792.16684209 |
| CAS RN |
130009-42-6 |
| C_ID |
C00057009
|
| InChIKey |
YPXWWSJGANMFFQ-AQAMAIGXSA-O |
| InChICode |
InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-4-7-20(40)21(41)9-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1 |
| SMILES |
O=C(/C=Cc1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Perilla frutescens  | Ref. |
| Plantae | Labiatae | Perilla ocimoides var. crispa | Ref. |
|
|
zoom in
| Organism | Perilla ocimoides var. crispa |
|---|
| Reference | Harborne, J.B.Phytochemistry, 1963, 2, 85-97
1964, 3, 151-160
1964, 453-463 (struct, glycosides)Vega, F.A. et al., Chem. Ind. (London), 1967, 954 (3,5-diglucoside) |
|---|
|
