input word = C00058167

Metabolite InformationStructural formula
Name Tuberoside T
Formula C51H84O21
Mw 1032.55050975
CAS RN 651306-85-3
C_ID C00058167
InChIKey XSABPJDLMOGNHR-RHTJGRCDSA-N
InChICode InChI=1S/C51H84O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h20,22-28,30-49,52-63H,7-19H2,1-6H3/t20-,22+,23-,24-,25+,26-,27+,28+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41-,42+,43+,44-,45-,46-,47+,48-,49-,50+,51+/m1/s1
SMILES OC[C@@H](O[C@H]1O[C@H]2CC[C@@]3([C@]4(CC[C@]5([C@](C[C@]6([C@@]5(C(C)=C(CC[C@@H](C)CO[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)O6)[H])[H])([H])[C@@]4(CC[C@@]3(C2)[H])[H])C)[H])C)[C@H]([C@@H]([C@H]1O[C@@H]8[C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O8)O)O[C@H]9[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O9
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium tuberosum Ref.
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