input word = C00043926

Metabolite InformationStructural formula
Name Stansin 3
(-)-Stansin 3
Formula C44H94O24
Mw 1006.61350393
CAS RN 768399-39-9
C_ID C00043926 ,
InChIKey XGNUFMGMQUNTRY-CXECOWIANA-N
InChICode InChI=1S/C55H94O24/c1-10-12-18-21-33-22-19-16-14-13-15-17-20-23-37(58)74-45-34(24-35-38(59)40(61)44(32(9)70-35)75-51(67)28(5)30(7)57)31(8)71-55(48(45)76-49(65)26(3)11-2)78-46-41(62)39(60)36(25-69-50(66)27(4)29(6)56)73-54(46)77-47-42(63)43(64)52(68)79-53(47)72-33/h26-36,38-48,52-57,59-64,68H,10-25H2,1-9H3/t26-,27+,28-,29-,30-,31-,32+,33-,34-,35-,36+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,52-,53+,54-,55-/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@H]([C@H](C)O)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)COC(=O)[C@@H]([C@H](C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea stans Ref.
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