input word = C00032242

Metabolite InformationStructural formula
Name Sublanceoside K2
(-)-Sublanceoside K2
Formula C55H86O21
Mw 1082.56615981
CAS RN 923021-36-7
C_ID C00032242 ,
InChIKey HHJIWAUPVPPOGJ-QFRFQSRKNA-N
InChICode InChI=1S/C55H86O21/c1-25-48(58)37(60-8)18-44(66-25)75-52-29(5)69-45(20-39(52)62-10)73-49-26(2)67-42(17-34(49)56)74-50-28(4)70-46(21-40(50)63-11)76-51-27(3)68-43(19-38(51)61-9)71-36-16-31-13-14-32-33(54(31,6)22-35(36)57)15-12-30-23-64-55(7)47(30)41(24-65-55)72-53(32)59/h13,23,25-29,32-52,56-58H,12,14-22,24H2,1-11H3/t25-,26+,27+,28-,29+,32+,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43-,44-,45-,46-,47+,48-,49-,50+,51+,52+,54-,55-/m0/s1
SMILES C1C2=CO[C@@]3([C@H]2[C@H](OC(=O)[C@H]2[C@H](C1)[C@@]1(C(=CC2)C[C@H]([C@@H](C1)O)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](C1)OC)O)C)OC)C)OC)C)C)CO3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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