input word = C00057395

Metabolite InformationStructural formula
Name 6-(Methylthio)hexyl isothiocyanate
Formula C8H15NS2
Mw 189.06459095
CAS RN 4430-39-1
C_ID C00057395
InChIKey YIBXPFAXPUDDTK-UHFFFAOYSA-N
InChICode InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3
SMILES CSCCCCCCN=C=S
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeWasabia japonica Ref.
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OrganismWasabia japonica
ReferenceKjaer, A. et al., Acta Chem. Scand., 1957, 11, 1298

1963, 17, 846

2143 (isol, synth, ms)