input word = C00058041

Metabolite InformationStructural formula
Name Tuberoside E
Formula C45H74O18
Mw 902.48751556
CAS RN 234771-07-4
C_ID C00058041
InChIKey ZRLYJZWJVVMIHO-GGJFAVENSA-N
InChICode InChI=1S/C45H74O18/c1-18-8-11-45(56-17-18)19(2)30-27(63-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)58-42-39(62-41-36(54)34(52)32(50)28(15-46)59-41)37(55)38(29(16-47)60-42)61-40-35(53)33(51)31(49)20(3)57-40/h18-42,46-55H,6-17H2,1-5H3/t18-,19-,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+/m0/s1
SMILES [H][C@]1(C[C@@](O[C@@]2(OC[C@@H](C)CC2)[C@H]3C)([H])[C@@]43[H])[C@]5([H])CC[C@]6(C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@H](O)[C@H]7O[C@H]9[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O9)[C@H](O)C[C@]6(C)[C@@]5([H])CC[C@@]14C)[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium tuberosum Ref.
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