input word = C00041243

Metabolite InformationStructural formula
Name 14-Acetoxygelselegine
(-)-14-Acetoxygelselegine
Formula C22H28N2O6
Mw 416.19473664
CAS RN 881184-30-1
C_ID C00041243 ,
InChIKey VQXULUHGFUBIAD-SSDZJBRNNA-N
InChICode InChI=1S/C22H28N2O6/c1-4-21(11-25)17-13-10-29-19(18(17)30-12(2)26)22(9-15(13)23-21)14-7-5-6-8-16(14)24(28-3)20(22)27/h5-8,13,15,17-19,23,25H,4,9-11H2,1-3H3/t13-,15+,17+,18+,19-,21+,22-/m1/s1
SMILES [C@H]1([C@@H]2[C@@]3(C[C@H]4[C@@H](CO2)[C@@H]1[C@](N4)(CC)CO)c1c(N(C3=O)OC)cccc1)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium elegans Ref.
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OrganismGelsemium elegans
ReferenceKitajima,J.Nat.Prod.,69,(2006),715