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 C1[C@@]23C(=C4[C@H](C1)[C@@]1(C(=CC4)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)O[C@H]1[C@@H]2[C@](OC1)(OC3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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