| Name |
Chinenoside IV |
| Formula |
C50H80O23 |
| Mw |
1048.50903886 |
| CAS RN |
187144-80-5 |
| C_ID |
C00024132
, 
|
| InChIKey |
VUAXPLNAPPGWDL-FMAQHEQFNA-N |
| InChICode |
InChI=1S/C50H80O23/c1-19(15-65-46-41(63)37(59)36(58)31(14-52)71-46)9-21(13-51)43-20(2)33-30(70-43)12-25-23-11-27(53)26-10-22(5-7-49(26,3)24(23)6-8-50(25,33)4)69-48-42(64)38(60)44(73-47-40(62)35(57)29(55)17-67-47)32(72-48)18-68-45-39(61)34(56)28(54)16-66-45/h19,21-26,28-42,44-48,51-52,54-64H,5-18H2,1-4H3/t19-,21-,22+,23-,24+,25+,26-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38+,39+,40+,41-,42+,44-,45+,46-,47+,48-,49-,50+/m1/s1 |
| SMILES |
CC1=C(C(CO)C[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@@H]6OC(CO[C@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C(O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium chinense G.DON  | Ref. |
|
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