input word = C00029392

Metabolite InformationStructural formula
Name 14-Acetoxy-15-hydroxygelsenicine
Formula C21H24N2O6
Mw 400.16343651
CAS RN 881184-28-7
C_ID C00029392 ,
InChIKey LHVWPEXUHTWXHW-IKSLBBSZNA-N
InChICode InChI=1S/C21H24N2O6/c1-4-16-21(26)13-10-28-17(18(21)29-11(2)24)20(9-14(13)22-16)12-7-5-6-8-15(12)23(27-3)19(20)25/h5-8,13-14,17-18,26H,4,9-10H2,1-3H3/t13-,14+,17-,18-,20+,21+/m1/s1
SMILES C(=O)(O[C@H]1[C@@]2([C@@H]3CO[C@H]1[C@]1(C[C@@H]3N=C2CC)c2c(N(C1=O)OC)cccc2)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.Med.,61,(2007),14