| Name |
Malonyl shisonin |
| Formula |
C39H39O21 |
| Mw |
843.19838331 |
| CAS RN |
123536-63-0 |
| C_ID |
C00051446
|
| InChIKey |
LXXIKIBJTGUQMG-MGJKDMMQNA-O |
| InChICode |
InChI=1S/C39H38O21.ClH/c40-18-5-1-16(2-6-18)3-8-29(46)54-14-26-31(48)34(51)36(53)39(60-26)58-25-12-20-23(56-37(25)17-4-7-21(42)22(43)9-17)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45;/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46);1H/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-;/m1./s1 |
| SMILES |
Cl.O=COCC(=O)OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Perilla frutescens var.crispa  | Ref. |
| Plantae | Labiatae | Perilla ocimoides var.crispa | Ref. |
|
|
zoom in
| Organism | Perilla frutescens var.crispa |
|---|
| Reference | Yoshida, et al., Chem Abstr, 113, (1990), 188025r |
|---|
|
