input word = C00057396

Metabolite InformationStructural formula
Name 8-(Methylthio)octyl isothiocyanate
Formula C10H19NS2
Mw 217.09589107
CAS RN 4430-41-5
C_ID C00057396
InChIKey BFBMDZOSZQDEKW-UHFFFAOYSA-N
InChICode InChI=1S/C10H19NS2/c1-13-9-7-5-3-2-4-6-8-11-10-12/h2-9H2,1H3
SMILES CSCCCCCCCCN=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

1958, 12, 833

1963, 17, 2143

1970, 24, 3031 (synth, ms)