input word = C00056508

Metabolite InformationStructural formula
Name Fenugreek saponin II
Formula C38H62O12
Mw 710.42412745
CAS RN 1148111-51-6
C_ID C00056508
InChIKey OSHZDTNWJYPSSP-ZAJNYGSVSA-N
InChICode InChI=1S/C38H62O12/c1-18-7-12-38(47-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)48-35-33(44)31(42)30(41)27(49-35)17-46-34-32(43)29(40)25(39)16-45-34/h18-35,39-44H,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+/m0/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)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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