input word = C00056509

Metabolite InformationStructural formula
Name Fenugreek saponin III
Formula C39H64O13
Mw 740.43469213
CAS RN 1148111-52-7
C_ID C00056509
InChIKey GJVMWJXVJKLODQ-WNCPLYKQSA-N
InChICode InChI=1S/C39H64O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h18-36,40-45H,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-/m1/s1
SMILES C[C@@]12[C@@]([H])(C[C@@]3([H])[C@]2([H])[C@H](C)[C@]4(OC[C@H](C)CC4)O3)[C@]5([H])CC[C@@]6([H])C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)CC[C@]6(C)[C@@]5([H])CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrigonella foenum-graecum Ref.
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