input word = C00043927

Metabolite InformationStructural formula
Name Stansin 4
(-)-Stansin 4
Formula C49H84O21
Mw 1008.55050975
CAS RN 768399-40-2
C_ID C00043927 ,
InChIKey BHDBAZCBIQCJCE-WCJNULIONA-N
InChICode InChI=1S/C49H84O21/c1-8-10-16-19-28-20-17-14-12-11-13-15-18-21-32(51)65-40-29(22-30-33(52)35(54)39(27(7)61-30)66-44(58)24(3)4)26(6)62-49(43(40)67-45(59)25(5)9-2)69-41-36(55)34(53)31(23-50)64-48(41)68-42-37(56)38(57)46(60)70-47(42)63-28/h24-31,33-43,46-50,52-57,60H,8-23H2,1-7H3/t25-,26-,27+,28-,29-,30-,31+,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43+,46-,47+,48-,49-/m0/s1
SMILES [C@@H]1(O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)C[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)OC(=O)C(C)C)C)OC(=O)CCCCCCCCC[C@@H](O[C@H]1[C@H](O2)[C@H]([C@@H]([C@H](O1)O)O)O)CCCCC)OC(=O)[C@H](CC)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea stans Ref.
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