input word = C00058162

Metabolite InformationStructural formula
Name Tuberoside O
Formula C33H54O10
Mw 610.37169795
CAS RN 651306-80-8
C_ID C00058162
InChIKey YTZASGUOZDZYSL-KZQGKZRNSA-N
InChICode InChI=1S/C33H54O9/c1-16-7-10-33(39-15-16)17(2)26-24(42-33)12-21-19-6-5-18-11-23(40-30-29(38)28(37)27(36)25(14-34)41-30)22(35)13-32(18,4)20(19)8-9-31(21,26)3/h16-30,34-38H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21+,22+,23-,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1
SMILES OC[C@@H](O[C@H]1O[C@H]2[C@H](C[C@@]3([C@]4(CC[C@]5([C@](C[C@]6([C@@]5([C@@H]([C@@]7(O6)OC[C@@H](CC7)C)C)[H])[H])([H])[C@@]4(CC[C@@]3(C2)[H])[H])C)[H])C)O)[C@H]([C@@H]([C@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium tuberosum Ref.
zoom in