input word = C00035633

Metabolite InformationStructural formula
Name Gordonoside E
(-)-Gordonoside E
Formula C54H86O17
Mw 1006.58650132
CAS RN 946409-20-7
C_ID C00035633 ,
InChIKey KQRYTIJIWAGUQB-FRKLZHJVNA-N
InChICode InChI=1S/C54H86O17/c1-14-27(2)51(57)68-42-22-37-36(54(58)20-18-35(28(3)55)53(42,54)9)16-15-33-21-34(17-19-52(33,37)8)67-43-24-39(60-11)48(30(5)64-43)70-45-26-41(62-13)50(32(7)66-45)71-46-25-40(61-12)49(31(6)65-46)69-44-23-38(59-10)47(56)29(4)63-44/h14-15,29-32,34-50,56,58H,16-26H2,1-13H3/b27-14+/t29-,30-,31-,32-,34+,35-,36-,37+,38-,39+,40-,41+,42-,43+,44+,45+,46+,47-,48-,49-,50-,52+,53+,54+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@H]1C(=O)C)O)C)OC(=O)/C(=C/C)/C)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)OC)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)OC)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
PlantaeTheaceaeGordonia chrysandra Ref.
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OrganismGordonia chrysandra
ReferenceYu,J.Nat.Prod.,72,(2009),866