input word = C00041868

Metabolite InformationStructural formula
Name Solanigroside C
(-)-Solanigroside C
Formula C51H82O26
Mw 1110.5094328
CAS RN 905914-27-4
C_ID C00041868 ,
InChIKey CEOFBCAKZKYATO-NXWGINIANA-N
InChICode InChI=1S/C51H82O26/c1-17-11-27(56)51(77-44(17)67)18(2)28-41(76-51)33(60)29-21-6-5-19-12-20(7-9-49(19,3)22(21)8-10-50(28,29)4)68-45-39(66)36(63)40(26(16-55)72-45)73-48-43(75-47-38(65)35(62)31(58)24(14-53)70-47)42(32(59)25(15-54)71-48)74-46-37(64)34(61)30(57)23(13-52)69-46/h17-43,45-48,52-66H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33-,34+,35+,36-,37-,38-,39-,40+,41-,42+,43-,45-,46+,47+,48+,49-,50+,51-/m1/s1
SMILES C1[C@@H]2[C@H]([C@H]3[C@@](C1)([C@@H]1[C@H]([C@@H]3O)O[C@]3([C@H]1C)OC(=O)[C@@H](C[C@@H]3O)C)C)CC[C@@H]1[C@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum nigrum Ref.
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