input word = C00056507

Metabolite InformationStructural formula
Name Fenugreek saponin I
Formula C38H62O13
Mw 726.41904207
CAS RN 1148111-50-5
C_ID C00056507
InChIKey LQHJXMWZNQGOHA-SLOHDBNKSA-N
InChICode InChI=1S/C38H62O13/c1-17-7-10-38(48-14-17)18(2)28-26(51-38)12-22-20-6-5-19-11-25(23(39)13-37(19,4)21(20)8-9-36(22,28)3)49-35-33(45)31(43)30(42)27(50-35)16-47-34-32(44)29(41)24(40)15-46-34/h17-35,39-45H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23-,24-,25-,26+,27-,28+,29+,30-,31+,32-,33-,34+,35-,36+,37+,38-/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]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)C[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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