input word = C00054404

Metabolite InformationStructural formula
Name n-Amyl isothiocyanate
Formula C6H11NS
Mw 129.06122009
CAS RN 629-12-9
C_ID C00054404
InChIKey SGHJUJBYMSVAJY-UHFFFAOYSA-N
InChICode InChI=1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3
SMILES CCCCCN=C=S
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRaphanus sativus var. niger Ref.
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OrganismRaphanus sativus var. niger
ReferenceDyson, G.M. et al., Recl. Trav. Chim. (J. R. Neth. Chem. Soc.), 1926, 45, 421 (synth)