input word = C00032243

Metabolite InformationStructural formula
Name Sublanceoside K4
(-)-Sublanceoside K4
Formula C55H86O20
Mw 1066.57124519
CAS RN 923021-37-8
C_ID C00032243 ,
InChIKey GXCADQPQPVCBAZ-DVTYIAEKNA-N
InChICode InChI=1S/C55H86O20/c1-25-46(58)36(59-8)18-43(65-25)74-50-29(5)68-44(20-38(50)61-10)72-47-26(2)66-41(17-33(47)56)73-48-28(4)69-45(21-39(48)62-11)75-49-27(3)67-42(19-37(49)60-9)70-35-16-30-12-13-31-32(53(30,6)22-34(35)57)14-15-55-24-64-54(7)51(55)40(23-63-54)71-52(31)55/h12,25-29,32-51,56-58H,13-24H2,1-11H3/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+,53-,54+,55-/m0/s1
SMILES CO[C@H]1C[C@H](O[C@@H]2CC3=CCC4=C5O[C@@H]6CO[C@]7(C)OC[C@@]5(CC[C@@H]4[C@@]3(C)C[C@H]2O)[C@H]67)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@H]2C[C@H](O)[C@@H](O[C@H]3C[C@@H](OC)[C@H](O[C@H]4C[C@@H](OC)[C@@H](O)[C@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)[C@H](C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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