input word = C00058770

Metabolite InformationStructural formula
Name Trigoneoside Ib
Formula C44H74O19
Mw 906.48243018
CAS RN 187141-36-2
C_ID C00058770
InChIKey TVNGRDSDHVARNR-SYQAKRSCSA-N
InChICode InChI=1S/C44H74O19/c1-18(15-57-40-37(54)34(51)32(49)28(14-45)61-40)7-10-44(56)19(2)30-27(63-44)12-23-21-6-5-20-11-26(24(46)13-43(20,4)22(21)8-9-42(23,30)3)60-41-38(55)35(52)33(50)29(62-41)17-59-39-36(53)31(48)25(47)16-58-39/h18-41,45-56H,5-17H2,1-4H3/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-/m1/s1
SMILES C[C@H](CC[C@@]1(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]7OC[C@@H](O)[C@H](O)[C@H]7O)[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.
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