input word = C00034213

Metabolite InformationStructural formula
Name Sapinmusaponin M
(-)-Sapinmusaponin M
Formula C50H78O18
Mw 966.51881569
CAS RN 1033414-97-9
C_ID C00034213 ,
InChIKey MXZNPJAAHPKAFU-BJPMNFANNA-N
InChICode InChI=1S/C50H78O18/c1-24-34(56)38(67-43-40(65-26(3)53)37(64-25(2)52)30(55)22-62-43)36(58)41(63-24)68-39-35(57)29(54)21-61-42(39)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 C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@]3(CC[C@@H]([C@@]1(CO)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O)O)O)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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