input word = C00025092

Metabolite InformationStructural formula
Name Humantenine
Gelsenidine
Formula C21H26N2O3
Mw 354.19434271
CAS RN 82375-29-9
C_ID C00025092 ,
InChIKey SJKRPUOXUNOPOP-WHPATKCENA-N
InChICode InChI=1S/C21H26N2O3/c1-4-13-11-22(2)18-10-21(19-9-14(13)15(18)12-26-19)16-7-5-6-8-17(16)23(25-3)20(21)24/h4-8,14-15,18-19H,9-12H2,1-3H3/b13-4+/t14-,15-,18-,19+,21-/m0/s1
SMILES [C@]12(c3c(N(C1=O)OC)cccc3)C[C@H]1[C@H]3CO[C@@H]2C[C@H]3/C(=C/C)/CN1C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium elegans Ref.
PlantaeGelsemiaceaeGelsemium rankinii Ref.
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