input word = C00025086

Metabolite InformationStructural formula
Name 21-Oxogelsemine
Formula C20H20N2O3
Mw 336.14739252
CAS RN 55856-53-6
C_ID C00025086 ,
InChIKey WOURMHFKVOXOOP-BRXWZYPWNA-N
InChICode InChI=1S/C20H20N2O3/c1-3-19-12-8-14-20(11-6-4-5-7-13(11)21-17(20)23)16(19)15(10(12)9-25-14)22(2)18(19)24/h3-7,10,12,14-16H,1,8-9H2,2H3,(H,21,23)/t10-,12+,14+,15?,16-,19-,20-/m0/s1
SMILES C=CC12C(=O)N(C)[C@@H]3C4CO[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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