input word = C00058112

Metabolite InformationStructural formula
Name Trigoneoside VIII
Formula C44H72O18
Mw 888.4718655
CAS RN 425644-95-7
C_ID C00058112
InChIKey AALVUUMVCUHIRJ-QLADEKFDSA-N
InChICode InChI=1S/C44H72O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-8-26-19(2)31-28(59-26)12-23-21-7-6-20-11-27(24(46)13-44(20,4)22(21)9-10-43(23,31)3)60-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)25(47)16-57-40/h18,20-25,27-42,45-55H,5-17H2,1-4H3/t18-,20+,21-,22+,23+,24-,25-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43+,44+/m1/s1
SMILES CC1=C(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)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]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrigonella foenum-graecum Ref.
zoom in