input word = C00040384

Metabolite InformationStructural formula
Name Stauntoside A
(-)-Stauntoside A
Formula C48H72O19
Mw 952.46678012
CAS RN 261636-64-0
C_ID C00040384 ,
InChIKey HDAXUGQAZNEDRK-NDMGGIGENA-N
InChICode InChI=1S/C48H72O19/c1-21-38(50)31(54-7)18-35(58-21)65-41-23(3)60-36(19-32(41)55-8)64-40-22(2)59-34(17-30(40)49)66-42-24(4)61-46(39(51)43(42)56-9)62-26-14-15-47(5)25(16-26)10-11-27-29(47)13-12-28-37-33(63-44(27)52)20-57-48(37,6)67-45(28)53/h10,12,21-24,26-27,29-43,46,49-51H,11,13-20H2,1-9H3/b28-12-/t21-,22+,23-,24+,26-,27+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40+,41-,42+,43+,46-,47-,48+/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C/C=C\1/[C@@H]2[C@H](OC3=O)CO[C@@]2(OC1=O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1C[C@H]([C@H]([C@@H](O1)C)O[C@@H]1O[C@H]([C@H]([C@H](C1)OC)O)C)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum stauntoi Ref.
PlantaeApocynaceaeCynanchum stauntonii Ref.
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