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 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](O)[C@H]6O)[C@@H](O)C[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
PlantaeAlliaceaeAllium tuberosum Ref.
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OrganismAllium tuberosum
ReferenceStephen, T. et al., JCS, 1956, 1167-1169

1957, , 262-264 (Agapanthagenin)