input word = C00042246

Metabolite InformationStructural formula
Name Aspaoligonin B
Formula C44H72O17
Mw 872.47695088
CAS RN 847063-04-1
C_ID C00042246 ,
InChIKey PDZAPEHDSGAIHT-VSYOASNUNA-N
InChICode InChI=1S/C44H72O17/c1-19-8-13-43(55-17-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)57-40-37(60-38-33(50)31(48)27(46)18-54-38)35(52)36(28(16-45)58-40)59-39-34(51)32(49)30(47)20(2)56-39/h19-40,45-53H,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+/m0/s1
SMILES C[C@H]1CC[C@@]2(OC1)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](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus oligoclonos Ref.
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