input word = C00058085

Metabolite InformationStructural formula
Name Tuberoside G
Formula C51H84O23
Mw 1064.54033899
CAS RN 332837-99-7
C_ID C00058085
InChIKey SDLBXPCJERQMDS-HXDLKIKYSA-N
InChICode InChI=1S/C51H84O23/c1-19(18-66-45-38(61)37(60)34(57)29(16-52)71-45)7-10-31-51(6,65)44-28(69-31)14-25-23-9-8-22-13-27(26(54)15-50(22,5)24(23)11-12-49(25,44)4)70-48-43(74-47-40(63)36(59)33(56)21(3)68-47)41(64)42(30(17-53)72-48)73-46-39(62)35(58)32(55)20(2)67-46/h10,19-30,32-48,52-65H,7-9,11-18H2,1-6H3/b31-10-/t19-,20-,21-,22-,23+,24-,25-,26+,27+,28-,29+,30+,32-,33-,34+,35+,36+,37-,38+,39+,40+,41-,42+,43+,44-,45+,46-,47-,48+,49-,50-,51+/m0/s1
SMILES C[C@@H](C/C=C1O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@]1(C)O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium tuberosum Ref.
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