input word = C00033441

Metabolite InformationStructural formula
Name Trigoneoside Xb
(-)-Trigoneoside Xb
Formula C45H76O19
Mw 920.49808025
CAS RN 290347-51-2
C_ID C00033441 ,
InChIKey WROHFEWGWYQNPP-OLIPVDHKNA-N
InChICode InChI=1S/C45H76O19/c1-18(17-58-40-37(55)35(53)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-39(36(54)33(51)29(16-47)62-42)63-41-38(56)34(52)31(49)20(3)59-41/h18-42,46-57H,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-/m1/s1
SMILES C[C@H](CCC1(O)O[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](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@@H]1C)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
PlantaeFabaceaeTrigonella foenum Ref.
PlantaeFabaceaeTrigonella foenum-graecum L. Ref.
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