| Name |
Amaranthus-saponin I |
| Formula |
C48H76O19 |
| Mw |
956.49808025 |
| CAS RN |
139742-09-9 |
| C_ID |
C00038428
, 
|
| InChIKey |
ITPLQPXCONKMAX-VHJVXURONA-N |
| InChICode |
InChI=1S/C48H76O19/c1-20-27(51)29(53)31(55)39(62-20)64-35-33(57)36(38(59)60)65-41(34(35)58)66-37-23(50)18-45(6)25(44(37,4)5)11-12-47(8)26(45)10-9-21-22-17-43(2,3)13-15-48(22,16-14-46(21,47)7)42(61)67-40-32(56)30(54)28(52)24(19-49)63-40/h9,20,22-37,39-41,49-58H,10-19H2,1-8H3,(H,59,60)/t20-,22-,23-,24+,25-,26+,27-,28+,29+,30-,31+,32+,33-,34+,35-,36-,37-,39-,40-,41-,45-,46+,47+,48-/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@@H](O)C[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](C(=O)O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Amaranthaceae | Amaranthus cruentus  | Ref. |
| Plantae | Amaranthaceae | Amaranthus hypochondriacus | Ref. |
|
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