input word = C00001734

Metabolite InformationStructural formula
Name Gelsemine
Formula C20H22N2O2
Mw 322.16812796
CAS RN 509-15-9
C_ID C00001734 ,
InChIKey NFYYATWFXNPTRM-CBGFKVNSNA-N
InChICode InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(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-/m0/s1
SMILES C=C[C@]12CN(C)[C@@H]3[C@H]4CO[C@H](C[C@@H]41)[C@]1(C(=O)Nc4ccccc41)[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium elegans Ref.
PlantaeGelsemiaceaeGelsemium sempervirens Ref.
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