input word = C00041350

Metabolite InformationStructural formula
Name Argeloside K
Formula C54H86O21
Mw 1070.56615981
CAS RN 874118-57-7
C_ID C00041350 ,
InChIKey JIDYURUWGPRRGE-PUNIRWFANA-N
InChICode InChI=1S/C54H86O21/c1-24-45(70-40-21-35(62-10)48(27(4)67-40)73-50-44(59)43(58)42(57)36(22-55)69-50)32(56)18-38(64-24)71-46-26(3)66-41(20-34(46)61-9)72-47-25(2)65-39(19-33(47)60-8)68-29-13-15-51(5)28(17-29)11-12-31-30(51)14-16-52(6)49-37-23-63-53(49,7)75-54(31,52)74-37/h11,24-27,29-50,55-59H,12-23H2,1-10H3/t24-,25?,26+,27-,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43+,44-,45-,46-,47-,48-,49+,50+,51+,52-,53-,54+/m1/s1
SMILES [C@]123[C@@H]4CC=C5[C@@]([C@H]4CC[C@@]1([C@H]1[C@@](O2)(OC[C@H]1O3)C)C)(CC[C@@H](C5)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC)C)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeSolenostemma argel Ref.
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