input word = C00025139

Metabolite InformationStructural formula
Name 19-Oxogelsenicine
Formula C19H20N2O4
Mw 340.14230714
CAS RN 113900-77-9
C_ID C00025139 ,
InChIKey YYZFZZKNFUTDNE-OALXBLSXNA-N
InChICode InChI=1S/C19H20N2O4/c1-10(22)17-11-7-16-19(8-14(20-17)12(11)9-25-16)13-5-3-4-6-15(13)21(24-2)18(19)23/h3-6,11-12,14,16H,7-9H2,1-2H3/t11-,12+,14+,16-,19+/m1/s1
SMILES CON1C(=O)[C@@]2(C[C@@H]3N=C(C(C)=O)[C@@H]4C[C@H]2OC[C@H]34)c2ccccc21
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium elegans Benth. Ref.
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