input word = C00058163

Metabolite InformationStructural formula
Name Tuberoside P
Formula C39H64O14
Mw 756.42960675
CAS RN 651306-81-9
C_ID C00058163
InChIKey SMVVEWPEARBUAB-DSXGUHKGSA-N
InChICode InChI=1S/C39H64O13/c1-17-8-11-39(47-16-17)18(2)28-26(52-39)13-23-21-7-6-20-12-25(24(41)14-38(20,5)22(21)9-10-37(23,28)4)49-36-33(46)31(44)34(27(15-40)50-36)51-35-32(45)30(43)29(42)19(3)48-35/h17-36,40-46H,6-16H2,1-5H3/t17-,18+,19+,20-,21-,22+,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/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[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium tuberosum Ref.
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