input word = C00057521

Metabolite InformationStructural formula
Name Saponin SA-III
Formula C38H60O12
Mw 708.40847738
CAS RN 728881-06-9
C_ID C00057521
InChIKey WQRCCNBDMRSDFF-MHFMXUFYSA-N
InChICode InChI=1S/C38H60O12/c1-18-7-12-38(46-16-18)19(2)28-25(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-34-32(43)30(41)27(17-45-34)49-35-33(44)31(42)29(40)26(15-39)48-35/h5,18-19,21-35,39-44H,6-17H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+/m0/s1
SMILES O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CC4=CC[C@]([C@@](C[C@@]5([H])[C@]6([H])[C@H](C)[C@]7(OC[C@@H](C)CC7)O5)([H])[C@]6(C)CC8)([H])[C@@]8([H])[C@@]4(C)CC3)OC2)O[C@H](CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrigonella foenum-graecum Ref.
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