| Name |
Soyasaponin I methyl ester |
| Formula |
C49H80O18 |
| Mw |
956.53446575 |
| CAS RN |
86764-13-8 |
| C_ID |
C00048544
, 
|
| InChIKey |
ZEIAROWTCSYWFT-UIADHOMFNA-N |
| InChICode |
InChI=1S/C49H80O18/c1-22-30(53)32(55)36(59)41(62-22)66-38-33(56)31(54)25(20-50)63-42(38)67-39-35(58)34(57)37(40(60)61-9)65-43(39)64-29-13-14-46(5)26(47(29,6)21-51)12-15-49(8)27(46)11-10-23-24-18-44(2,3)19-28(52)45(24,4)16-17-48(23,49)7/h10,22,24-39,41-43,50-59H,11-21H2,1-9H3/t22-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,37-,38+,39+,41-,42-,43+,45+,46+,47+,48+,49+/m0/s1 |
| SMILES |
COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@]34C)[C@@]2(C)CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Balsaminaceae | Impatiens siculifer | Ref. |
| Plantae | Fabaceae | Pisum sativum  | Ref. |
| Plantae | Fabaceae | Trifolium repens | Ref. |
|
|
zoom in
|
