input word = C00041871

Metabolite InformationStructural formula
Name Solanigroside F
(-)-Solanigroside F
Formula C56H92O28
Mw 1212.57751236
CAS RN 905914-30-9
C_ID C00041871 ,
InChIKey NHXQDKBXCHZJKL-RTOFZVRHNA-N
InChICode InChI=1S/C56H92O28/c1-20-11-33(80-51-43(70)39(66)36(63)29(14-57)76-51)56(74-18-20)21(2)34-28(84-56)13-26-24-6-5-22-12-23(7-9-54(22,3)25(24)8-10-55(26,34)4)75-50-45(72)41(68)46(32(17-60)79-50)81-53-48(83-52-44(71)40(67)37(64)30(15-58)77-52)47(38(65)31(16-59)78-53)82-49-42(69)35(62)27(61)19-73-49/h20-53,57-72H,5-19H2,1-4H3/t20-,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-,51+,52+,53+,54+,55+,56+/m1/s1
SMILES C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum nigrum Ref.
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