input word = C00034065

Metabolite InformationStructural formula
Name Mukurozisaponin G
Formula C50H78O18
Mw 966.51881569
CAS RN 87733-79-7
C_ID C00034065 ,
InChIKey YWTUZIXCNQDLDQ-KYDJTHGXNA-N
InChICode InChI=1S/C50H78O18/c1-24-34(55)39(67-41-36(57)38(65-26(3)53)30(22-62-41)64-25(2)52)37(58)42(63-24)68-40-35(56)29(54)21-61-43(40)66-33-13-14-46(6)31(47(33,7)23-51)12-15-49(9)32(46)11-10-27-28-20-45(4,5)16-18-50(28,44(59)60)19-17-48(27,49)8/h10,24,28-43,51,54-58H,11-23H2,1-9H3,(H,59,60)/t24-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40+,41-,42-,43+,46+,47-,48+,49+,50-/m0/s1
SMILES CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@H]3C(O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@]56C)[C@]4(C)CO)OC[C@H](O)[C@@H]3O)[C@@H]2O)OC[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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