input word = C00058101

Metabolite InformationStructural formula
Name Tuberoside L
Formula C51H84O23
Mw 1064.54033899
CAS RN 373647-11-1
C_ID C00058101
InChIKey JNVASJAUPSEUEW-FVTCJBJESA-N
InChICode InChI=1S/C51H84O23/c1-19-32-29(74-51(19)11-8-22(18-66-51)17-65-45-39(61)38(60)35(57)30(15-52)70-45)13-26-24-7-6-23-12-28(27(54)14-50(23,5)25(24)9-10-49(26,32)4)69-48-44(73-47-41(63)37(59)34(56)21(3)68-47)42(64)43(31(16-53)71-48)72-46-40(62)36(58)33(55)20(2)67-46/h19-48,52-64H,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+,45+,46-,47-,48+,49-,50-,51+/m0/s1
SMILES OC[C@@H](O[C@H]1O[C@H]2[C@@H](C[C@@]3([C@]4(CC[C@]5([C@]([H])([C@@]4(CC[C@]3(C2)[H])[H])C[C@]6([C@@]5([C@@H]([C@@]7(O6)OC[C@H](CC7)CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C)[H])[H])C)[H])C)O)[C@H]([C@@H]([C@H]1O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O[C@H]%10[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O%10
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium tuberosum Ref.
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