input word = C00041450

Metabolite InformationStructural formula
Name Cleistetroside 1
(-)-Cleistetroside 1
Formula C46H76O22
Mw 980.48282411
CAS RN 115547-21-2
C_ID C00041450 ,
InChIKey GBKNKYWIOBGJMA-KWWXEYCJNA-N
InChICode InChI=1S/C46H76O22/c1-11-12-13-14-15-16-17-18-19-20-21-56-43-32(53)31(52)35(22(2)57-43)66-44-34(55)40(37(24(4)58-44)62-27(7)48)67-46-42(65-30(10)51)41(38(25(5)60-46)63-28(8)49)68-45-33(54)39(64-29(9)50)36(23(3)59-45)61-26(6)47/h22-25,31-46,52-55H,11-21H2,1-10H3/t22-,23-,24-,25-,31+,32+,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44-,45-,46-/m0/s1
SMILES CCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]4O)[C@H]3OC(C)=O)[C@H]2O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeCleistopholis patens Ref.
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OrganismCleistopholis patens
ReferenceHu,J.Nat.Prod.,69,(2006),585