input word = C00041869

Metabolite InformationStructural formula
Name Solanigroside D
(-)-Solanigroside D
Formula C55H88O27
Mw 1180.55129761
CAS RN 905914-28-5
C_ID C00041869 ,
InChIKey JEHDEIWQIITMKD-YCSTWCNGNA-N
InChICode InChI=1S/C55H88O27/c1-19-12-32(60)55(82-47(19)70)20(2)33-29(81-55)14-26-24-7-6-22-13-23(8-10-53(22,4)25(24)9-11-54(26,33)5)74-51-45(79-50-41(68)38(65)34(61)21(3)73-50)42(69)43(31(16-57)76-51)77-52-46(80-49-40(67)36(63)28(59)18-72-49)44(37(64)30(15-56)75-52)78-48-39(66)35(62)27(58)17-71-48/h19-46,48-52,56-69H,6-18H2,1-5H3/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-,48+,49+,50+,51-,52+,53+,54+,55-/m1/s1
SMILES C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1C[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]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[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