input word = C00025170

Metabolite InformationStructural formula
Name Gelsemine N-oxide
(-)-Gelsemine N-oxide
Formula C20H22N2O3
Mw 338.16304258
CAS RN 113900-76-8
C_ID C00025170 ,
InChIKey LNBRLFDEFXKCAW-SJZNATHKNA-N
InChICode InChI=1S/C20H22N2O3/c1-3-19-10-22(2,24)16-11-9-25-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13+,15+,16+,17-,19-,20+,22+/m1/s1
SMILES C=CC12C[N+](C)([O-])C3C4COC(CC41)[C@]1(C(=O)Nc4ccccc41)C32
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium elegans Benth. Ref.
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OrganismGelsemium elegans Benth.
ReferencePonglux,Tetrahedron,44,(1988),5075