input word = C00041872

Metabolite InformationStructural formula
Name Solanigroside G
(-)-Solanigroside G
Formula C50H82O23
Mw 1050.52468893
CAS RN 905914-31-0
C_ID C00041872 ,
InChIKey HVSIYDVSJUTGKS-ZYQCZJKANA-N
InChICode InChI=1S/C50H82O23/c1-19-7-12-50(65-17-19)20(2)29-41(73-50)34(58)30-23-6-5-21-13-22(8-10-48(21,3)24(23)9-11-49(29,30)4)66-45-39(63)36(60)40(28(16-53)69-45)70-47-43(72-46-38(62)35(59)32(56)26(14-51)67-46)42(33(57)27(15-52)68-47)71-44-37(61)31(55)25(54)18-64-44/h19-47,51-63H,5-18H2,1-4H3/t19-,20+,21+,22+,23-,24+,25-,26-,27-,28-,29+,30-,31+,32-,33-,34-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,47+,48+,49+,50-/m1/s1
SMILES C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum nigrum Ref.
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OrganismSolanum nigrum
ReferenceZhao,J.Nat.Prod.,69,(2006),1158