input word = C00040230

Metabolite InformationStructural formula
Name Saundersioside B
(-)-Saundersioside B
Formula C48H68O16
Mw 900.45073613
CAS RN 174867-68-6
C_ID C00040230 ,
InChIKey QHQXGHMCSYZYOX-SMNDXTTBNA-N
InChICode InChI=1S/C48H68O16/c1-22(2)18-31-42(55)60-32-20-30-28-13-10-25-19-27(14-16-46(25,4)29(28)15-17-48(30)40(32)47(31,5)64-45(48)57-7)59-44-39(35(51)34(50)33(21-49)61-44)63-43-37(53)36(52)38(23(3)58-43)62-41(54)24-8-11-26(56-6)12-9-24/h8-12,18,23,27-40,42-45,49-53,55H,13-17,19-21H2,1-7H3/t23-,27-,28+,29-,30-,31-,32-,33+,34+,35-,36-,37+,38-,39+,40+,42+,43-,44+,45+,46-,47-,48-/m0/s1
SMILES COc1ccc(C(=O)O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)C(=CC[C@H]6[C@@H]7C[C@@H]8O[C@@H](O)[C@H](C=C(C)C)[C@]9(C)O[C@@H](OC)C7(CC[C@@H]65)[C@H]89)C4)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H]2C)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeOrnithogalum saundersiae Ref.
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