input word = C00062037

Metabolite InformationStructural formula
Name trans-Nicotine N,N'-dioxide
Formula C10H14N2O2
Mw 194.10552771
CAS RN 51744-20-8
C_ID C00062037
InChIKey GSXMRZNVDIMTTQ-JQWIXIFHSA-N
InChICode InChI=1S/C10H14N2O2/c1-12(14)7-3-5-10(12)9-4-2-6-11(13)8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-,12-/m0/s1
SMILES C[N+]1([O-])CCCC1c1ccc[n+]([O-])c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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