input word = C00034215

Metabolite InformationStructural formula
Name Sapinmusaponin O
Formula C42H72O12
Mw 768.50237776
CAS RN 120727-85-7
C_ID C00034215 ,
InChIKey WTZRMMRIVFYQRE-UHFFFAOYNA-N
InChICode InChI=1S/C42H72O12/c1-21(2)11-10-16-41(8,50)24-14-18-40(7)23(24)12-13-26-39(6)17-15-29(38(4,5)27(39)19-28(44)42(26,40)9)53-37-35(33(48)31(46)25(20-43)52-37)54-36-34(49)32(47)30(45)22(3)51-36/h11,22-37,43-50H,10,12-20H2,1-9H3/t22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40-,41+,42+/m1/s1
SMILES C1[C@H](C([C@H]2[C@@](C1)([C@@H]1[C@@]([C@@H](C2)O)([C@]2([C@@H](CC1)[C@@H](CC2)[C@@](CCC=C(C)C)(C)O)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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